N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C19H24N4O2S — CID 16948468

IUPACN-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(NC(=O)Nc2nc(C(=O)NC3CCCCCC3)cs2)c1
InChIInChI=1S/C19H24N4O2S/c1-13-7-6-10-15(11-13)21-18(25)23-19-22-16(12-26-19)17(24)20-14-8-4-2-3-5-9-14/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyQVXSZRIVALTCOR-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.55
Rot. Bonds4

About N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16948468) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16948468
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(NC(=O)Nc2nc(C(=O)NC3CCCCCC3)cs2)c1
InChIInChI=1S/C19H24N4O2S/c1-13-7-6-10-15(11-13)21-18(25)23-19-22-16(12-26-19)17(24)20-14-8-4-2-3-5-9-14/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyQVXSZRIVALTCOR-UHFFFAOYSA-N
XLogP4.55
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16948435
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
N-(2-amino-2-oxoethyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948584
1-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 77046632
N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948431
N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948581
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948483
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16948468) is N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is Cc1cccc(NC(=O)Nc2nc(C(=O)NC3CCCCCC3)cs2)c1.
What is the InChIKey of N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is QVXSZRIVALTCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-7-6-10-15(11-13)21-18(25)23-19-22-16(12-26-19)17(24)20-14-8-4-2-3-5-9-14/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).