N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C12H16N4O2S — CID 95726024

IUPACN-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@]1(O)CCNC1
InChIInChI=1S/C12H16N4O2S/c1-8-9(16-4-5-19-11(16)15-8)10(17)14-7-12(18)2-3-13-6-12/h4-5,13,18H,2-3,6-7H2,1H3,(H,14,17)/t12-/m0/s1
InChIKeyHZLVYVCWMJVCRC-LBPRGKRZSA-N
MW280.35 g/mol
LogP0.16
Rot. Bonds3

About N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 95726024) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID95726024
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@]1(O)CCNC1
InChIInChI=1S/C12H16N4O2S/c1-8-9(16-4-5-19-11(16)15-8)10(17)14-7-12(18)2-3-13-6-12/h4-5,13,18H,2-3,6-7H2,1H3,(H,14,17)/t12-/m0/s1
InChIKeyHZLVYVCWMJVCRC-LBPRGKRZSA-N
XLogP0.16
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56893628
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
6-methyl-N-[(3R)-piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66639497
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
1-[[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 63221875
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
6-methyl-N-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 155912059
N-[(3-hydroxyoxolan-3-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 103849254
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 118765598
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-phenylpropanamide
CID 114760630

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 95726024) is N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC[C@]1(O)CCNC1.
What is the InChIKey of N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is HZLVYVCWMJVCRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-9(16-4-5-19-11(16)15-8)10(17)14-7-12(18)2-3-13-6-12/h4-5,13,18H,2-3,6-7H2,1H3,(H,14,17)/t12-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 95726024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).