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

C16H20N6OS — CID 95873907

IUPACN-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESC[C@H](NC(=O)CCc1cc2n(n1)CCNC2)c1cn2ccsc2n1
InChIInChI=1S/C16H20N6OS/c1-11(14-10-21-6-7-24-16(21)19-14)18-15(23)3-2-12-8-13-9-17-4-5-22(13)20-12/h6-8,10-11,17H,2-5,9H2,1H3,(H,18,23)/t11-/m0/s1
InChIKeyOINOZTSYWCKMOC-NSHDSACASA-N
MW344.44 g/mol
LogP1.51
Rot. Bonds5

About 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

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 (PubChem CID 95873907) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
PubChem CID95873907
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
SMILESC[C@H](NC(=O)CCc1cc2n(n1)CCNC2)c1cn2ccsc2n1
InChIInChI=1S/C16H20N6OS/c1-11(14-10-21-6-7-24-16(21)19-14)18-15(23)3-2-12-8-13-9-17-4-5-22(13)20-12/h6-8,10-11,17H,2-5,9H2,1H3,(H,18,23)/t11-/m0/s1
InChIKeyOINOZTSYWCKMOC-NSHDSACASA-N
XLogP1.51
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-morpholin-4-ylacetamide
CID 118773641
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-[(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
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70756446
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
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
1-(4-methylsulfonylpiperazin-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one
CID 70775835
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70719139
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 70742362
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
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154894158

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](NC(=O)CCc1cc2n(n1)CCNC2)c1cn2ccsc2n1.
What is the InChIKey of 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?
The InChIKey is OINOZTSYWCKMOC-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N6OS/c1-11(14-10-21-6-7-24-16(21)19-14)18-15(23)3-2-12-8-13-9-17-4-5-22(13)20-12/h6-8,10-11,17H,2-5,9H2,1H3,(H,18,23)/t11-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 344.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95873907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).