N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

C18H19N5OS — CID 135209359

IUPACN-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3nc4c(s3)CCNC4)c2)c1
InChIInChI=1S/C18H19N5OS/c1-12-3-2-4-13(7-12)9-23-10-16(20-11-23)22-17(24)18-21-14-8-19-6-5-15(14)25-18/h2-4,7,10-11,19H,5-6,8-9H2,1H3,(H,22,24)
InChIKeyBDBWDRAWDGCDAP-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.59
Rot. Bonds4

About N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 135209359) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
PubChem CID135209359
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3nc4c(s3)CCNC4)c2)c1
InChIInChI=1S/C18H19N5OS/c1-12-3-2-4-13(7-12)9-23-10-16(20-11-23)22-17(24)18-21-14-8-19-6-5-15(14)25-18/h2-4,7,10-11,19H,5-6,8-9H2,1H3,(H,22,24)
InChIKeyBDBWDRAWDGCDAP-UHFFFAOYSA-N
XLogP2.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (CID 135209359) is N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3nc4c(s3)CCNC4)c2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The InChIKey is BDBWDRAWDGCDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-3-2-4-13(7-12)9-23-10-16(20-11-23)22-17(24)18-21-14-8-19-6-5-15(14)25-18/h2-4,7,10-11,19H,5-6,8-9H2,1H3,(H,22,24).
What are the key properties of N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 135209359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).