N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide

C15H18N4O2S — CID 16948151

IUPACN-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H18N4O2S/c1-3-10(2)16-13(20)12-9-22-15(18-12)19-14(21)17-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,20)(H2,17,18,19,21)
InChIKeyUFUIGLCEPOAMGH-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.32
Rot. Bonds5

About N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide

N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 16948151) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
PubChem CID16948151
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H18N4O2S/c1-3-10(2)16-13(20)12-9-22-15(18-12)19-14(21)17-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,20)(H2,17,18,19,21)
InChIKeyUFUIGLCEPOAMGH-UHFFFAOYSA-N
XLogP3.32
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948615
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 15053516
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46113759
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide (CID 16948151) is N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)c1csc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UFUIGLCEPOAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-10(2)16-13(20)12-9-22-15(18-12)19-14(21)17-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,20)(H2,17,18,19,21).
What are the key properties of N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).