N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride

C15H22Cl2N6OS — CID 154893788

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCc1cc2n(n1)CCNC2)NCc1cn2c(n1)SCC2
InChIInChI=1S/C15H20N6OS.2ClH/c22-14(17-8-12-10-20-5-6-23-15(20)18-12)2-1-11-7-13-9-16-3-4-21(13)19-11;;/h7,10,16H,1-6,8-9H2,(H,17,22);2*1H
InChIKeyLZEXAIAYLQWGBK-UHFFFAOYSA-N
MW405.36 g/mol
LogP1.38
Rot. Bonds5

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride (PubChem CID 154893788) has the molecular formula C15H22Cl2N6OS and a molecular weight of 405.36 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
PubChem CID154893788
Molecular FormulaC15H22Cl2N6OS
Molecular Weight405.36 g/mol
Exact Mass404.10
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCc1cc2n(n1)CCNC2)NCc1cn2c(n1)SCC2
InChIInChI=1S/C15H20N6OS.2ClH/c22-14(17-8-12-10-20-5-6-23-15(20)18-12)2-1-11-7-13-9-16-3-4-21(13)19-11;;/h7,10,16H,1-6,8-9H2,(H,17,22);2*1H
InChIKeyLZEXAIAYLQWGBK-UHFFFAOYSA-N
XLogP1.38
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154895023
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-[3-(1,2,4-triazol-4-yl)propyl]propanamide;hydrochloride
CID 154894408
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide;hydrochloride
CID 154894179
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154893396
N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 95873907
N-[(1-phenyltetrazol-5-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide;hydrochloride
CID 154895065
N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70722632
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154893547
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70736278
3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1-thiomorpholin-4-ylpropan-1-one
CID 70734173
1-(4-methylsulfonylpiperazin-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 70775835
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70711394

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride (CID 154893788) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride is Cl.Cl.O=C(CCc1cc2n(n1)CCNC2)NCc1cn2c(n1)SCC2.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?
The InChIKey is LZEXAIAYLQWGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS.2ClH/c22-14(17-8-12-10-20-5-6-23-15(20)18-12)2-1-11-7-13-9-16-3-4-21(13)19-11;;/h7,10,16H,1-6,8-9H2,(H,17,22);2*1H.
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride has a molecular weight of 405.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 154893788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).