3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide

C14H16N4O2S — CID 134096713

IUPAC3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)c1snc(NC(=O)Nc2ccccc2)c1C(N)=O
InChIInChI=1S/C14H16N4O2S/c1-8(2)11-10(12(15)19)13(18-21-11)17-14(20)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,19)(H2,16,17,18,20)
InChIKeySEBVQNYZZOJXPO-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.01
Rot. Bonds4

About 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide

3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 134096713) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID134096713
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)c1snc(NC(=O)Nc2ccccc2)c1C(N)=O
InChIInChI=1S/C14H16N4O2S/c1-8(2)11-10(12(15)19)13(18-21-11)17-14(20)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,19)(H2,16,17,18,20)
InChIKeySEBVQNYZZOJXPO-UHFFFAOYSA-N
XLogP3.01
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-carbamoyl-5-[2-methyl-4-(phenylcarbamoylamino)phenyl]-1,2-thiazol-3-yl]carbamoylamino]propanoic acid
CID 71620839
2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226441
3-[[4-carbamoyl-5-[4-[(2-methylphenyl)carbamoylamino]phenyl]-1,2-thiazol-3-yl]amino]propanoic acid
CID 71621315
N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
CID 145256421
(3S)-3-(phenylcarbamoylamino)butanamide
CID 95777024
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
(2R)-2-amino-N-phenylpropanamide
CID 10607114
1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
CID 23876655
1-amino-3-phenyl-1-propan-2-ylurea
CID 174763557
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039

Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide (CID 134096713) is 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)c1snc(NC(=O)Nc2ccccc2)c1C(N)=O.
What is the InChIKey of 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is SEBVQNYZZOJXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(2)11-10(12(15)19)13(18-21-11)17-14(20)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,19)(H2,16,17,18,20).
What are the key properties of 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide?
3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-5-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134096713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).