N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

C16H22N6OS — CID 126431927

IUPACN-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)NCC1=CSC2=NCCN12
InChIInChI=1S/C16H22N6OS/c23-15(19-9-13-11-24-16-18-5-7-22(13)16)10-21-6-3-14(20-21)12-2-1-4-17-8-12/h3,6,11-12,17H,1-2,4-5,7-10H2,(H,19,23)/t12-/m0/s1
InChIKeyJKDIMXMZIGQKBY-LBPRGKRZSA-N
MW346.46 g/mol
LogP0.73
Rot. Bonds5

About N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126431927) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126431927
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)NCC1=CSC2=NCCN12
InChIInChI=1S/C16H22N6OS/c23-15(19-9-13-11-24-16-18-5-7-22(13)16)10-21-6-3-14(20-21)12-2-1-4-17-8-12/h3,6,11-12,17H,1-2,4-5,7-10H2,(H,19,23)/t12-/m0/s1
InChIKeyJKDIMXMZIGQKBY-LBPRGKRZSA-N
XLogP0.73
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3-piperidinyl)-1H-pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide hydrochloride
CID 119063493
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 126432225
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 126432226
1-{[3-(3-piperidinyl)-1H-pyrazol-1-yl]acetyl}azocane hydrochloride
CID 119061553
N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide
CID 51104339
7-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51104340
N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104351
3-Methyl-7-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 53548833
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 53551121
2-(Methylamino)-1-[4-[(2-methylpyrazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 73439046
(2S)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide
CID 94813464
(2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide
CID 94813465

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126431927) is N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is O=C(Cn1ccc([C@H]2CCCNC2)n1)NCC1=CSC2=NCCN12.
What is the InChIKey of N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is JKDIMXMZIGQKBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6OS/c23-15(19-9-13-11-24-16-18-5-7-22(13)16)10-21-6-3-14(20-21)12-2-1-4-17-8-12/h3,6,11-12,17H,1-2,4-5,7-10H2,(H,19,23)/t12-/m0/s1.
What are the key properties of N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126431927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).