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

C15H17N5OS — CID 122569754

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC(c1nccn1C)C1CC1
InChIInChI=1S/C15H17N5OS/c1-9-12(20-7-8-22-15(20)17-9)14(21)18-11(10-3-4-10)13-16-5-6-19(13)2/h5-8,10-11H,3-4H2,1-2H3,(H,18,21)
InChIKeyAWCNDNDAYGVJFO-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.32
Rot. Bonds4

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

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 122569754) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID122569754
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC(c1nccn1C)C1CC1
InChIInChI=1S/C15H17N5OS/c1-9-12(20-7-8-22-15(20)17-9)14(21)18-11(10-3-4-10)13-16-5-6-19(13)2/h5-8,10-11H,3-4H2,1-2H3,(H,18,21)
InChIKeyAWCNDNDAYGVJFO-UHFFFAOYSA-N
XLogP2.32
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 95562906
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125440909
6-methyl-N-[(3R)-piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66639497
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate
CID 101023044
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 122569754) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC(c1nccn1C)C1CC1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is AWCNDNDAYGVJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9-12(20-7-8-22-15(20)17-9)14(21)18-11(10-3-4-10)13-16-5-6-19(13)2/h5-8,10-11H,3-4H2,1-2H3,(H,18,21).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 122569754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).