N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide

C13H14N4O2S — CID 71864926

IUPACN-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
SMILESCNC(=O)CNC(=O)Nc1cc(-c2ccccc2)ns1
InChIInChI=1S/C13H14N4O2S/c1-14-11(18)8-15-13(19)16-12-7-10(17-20-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,18)(H2,15,16,19)
InChIKeyMXNPNOVNDUNTQE-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.68
Rot. Bonds4

About N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide

N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide (PubChem CID 71864926) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
PubChem CID71864926
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
SMILESCNC(=O)CNC(=O)Nc1cc(-c2ccccc2)ns1
InChIInChI=1S/C13H14N4O2S/c1-14-11(18)8-15-13(19)16-12-7-10(17-20-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,18)(H2,15,16,19)
InChIKeyMXNPNOVNDUNTQE-UHFFFAOYSA-N
XLogP1.68
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 95786580
2,5,6-trimethyl-3-oxo-N-(3-phenyl-1,2-thiazol-5-yl)pyridazine-4-carboxamide
CID 56792578
1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 111578713
2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide
CID 86974990
2-N-(3-phenyl-1,2-thiazol-5-yl)pyridine-2,5-dicarboxamide
CID 136529338
1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 91649335
2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
CID 119053055
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide
CID 134087108
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063696
1-(3-phenyl-1,2-thiazol-5-yl)ethanone
CID 121218421
N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120826646

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide?
The IUPAC name of N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide (CID 71864926) is N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide.
What is the SMILES notation for N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide?
The canonical SMILES for N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide is CNC(=O)CNC(=O)Nc1cc(-c2ccccc2)ns1.
What is the InChIKey of N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide?
The InChIKey is MXNPNOVNDUNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-14-11(18)8-15-13(19)16-12-7-10(17-20-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,18)(H2,15,16,19).
What are the key properties of N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide?
N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide has a molecular weight of 290.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide is sourced from PubChem (CID 71864926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).