N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide

C17H18N6OS — CID 126894221

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3ccc4ncncc4c3)CC2)s1
InChIInChI=1S/C17H18N6OS/c1-12-9-19-16(25-12)21-17(24)23-6-4-22(5-7-23)14-2-3-15-13(8-14)10-18-11-20-15/h2-3,8-11H,4-7H2,1H3,(H,19,21,24)
InChIKeyGVQAUCKDYZCVEQ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.75
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide (PubChem CID 126894221) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
PubChem CID126894221
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3ccc4ncncc4c3)CC2)s1
InChIInChI=1S/C17H18N6OS/c1-12-9-19-16(25-12)21-17(24)23-6-4-22(5-7-23)14-2-3-15-13(8-14)10-18-11-20-15/h2-3,8-11H,4-7H2,1H3,(H,19,21,24)
InChIKeyGVQAUCKDYZCVEQ-UHFFFAOYSA-N
XLogP2.75
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725
(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894138
4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162675723
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 126894181
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296
2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 126894131
N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide
CID 126913339
N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71964489
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1443705
3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162672664

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide (CID 126894221) is N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3ccc4ncncc4c3)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide?
The InChIKey is GVQAUCKDYZCVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-12-9-19-16(25-12)21-17(24)23-6-4-22(5-7-23)14-2-3-15-13(8-14)10-18-11-20-15/h2-3,8-11H,4-7H2,1H3,(H,19,21,24).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126894221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).