2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide

C17H21ClN4O2S — CID 16897605

IUPAC2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C17H21ClN4O2S/c1-3-4-5-10-19-15(23)14-11(2)20-17(25-14)22-16(24)21-13-8-6-12(18)7-9-13/h6-9H,3-5,10H2,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyVYOVJIPXHIXBIY-UHFFFAOYSA-N
MW380.90 g/mol
LogP4.67
Rot. Bonds7

About 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide

2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide (PubChem CID 16897605) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
PubChem CID16897605
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C17H21ClN4O2S/c1-3-4-5-10-19-15(23)14-11(2)20-17(25-14)22-16(24)21-13-8-6-12(18)7-9-13/h6-9H,3-5,10H2,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyVYOVJIPXHIXBIY-UHFFFAOYSA-N
XLogP4.67
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(4-methylphenyl)carbamoylamino]-N-propyl-1,3-thiazole-5-carboxamide
CID 16897288
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
2-[(4-chlorophenyl)carbamoylamino]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897590
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16839644
methyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897633
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 16897637
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16897630
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620
N-[(4-chlorophenyl)methyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897163
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide (CID 16897605) is 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide is CCCCCNC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The InChIKey is VYOVJIPXHIXBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-3-4-5-10-19-15(23)14-11(2)20-17(25-14)22-16(24)21-13-8-6-12(18)7-9-13/h6-9H,3-5,10H2,1-2H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide has a molecular weight of 380.90 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).