N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide

C20H20N4O2S — CID 129052685

IUPACN-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1nc(C(=O)NCc2ccccc2)cs1)Nc1ccccc1
InChIInChI=1S/C20H20N4O2S/c25-19(22-13-15-7-3-1-4-8-15)17-14-27-18(24-17)11-12-21-20(26)23-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,22,25)(H2,21,23,26)
InChIKeyYXVCILMVMWNPRM-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.44
Rot. Bonds7

About N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide

N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 129052685) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID129052685
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1nc(C(=O)NCc2ccccc2)cs1)Nc1ccccc1
InChIInChI=1S/C20H20N4O2S/c25-19(22-13-15-7-3-1-4-8-15)17-14-27-18(24-17)11-12-21-20(26)23-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,22,25)(H2,21,23,26)
InChIKeyYXVCILMVMWNPRM-UHFFFAOYSA-N
XLogP3.44
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372558
2-[2-[(3-bromophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374282
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
2-[2-[(3-iodophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373706
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
N-benzyl-2-(4-pyridin-2-ylbutyl)-1,3-thiazole-4-carboxamide
CID 160926011
N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 129052685) is N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCc1nc(C(=O)NCc2ccccc2)cs1)Nc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YXVCILMVMWNPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(22-13-15-7-3-1-4-8-15)17-14-27-18(24-17)11-12-21-20(26)23-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,22,25)(H2,21,23,26).
What are the key properties of N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129052685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).