2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C9H14N4O2S — CID 47098598

IUPAC2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)NC(N)=O)sc1C
InChIInChI=1S/C9H14N4O2S/c1-4-6(3)16-9(12-4)13-7(14)5(2)11-8(10)15/h5H,1-3H3,(H3,10,11,15)(H,12,13,14)
InChIKeyXDSGDIYPVVLPIN-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.76
Rot. Bonds3

About 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 47098598) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID47098598
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)NC(N)=O)sc1C
InChIInChI=1S/C9H14N4O2S/c1-4-6(3)16-9(12-4)13-7(14)5(2)11-8(10)15/h5H,1-3H3,(H3,10,11,15)(H,12,13,14)
InChIKeyXDSGDIYPVVLPIN-UHFFFAOYSA-N
XLogP0.76
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
N-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 41322464
2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 43470560
N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47098607
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 61467509
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119269701
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide
CID 28824897
2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 112811581
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 36770876
2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 46305496
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617289

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 47098598) is 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)C(C)NC(N)=O)sc1C.
What is the InChIKey of 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XDSGDIYPVVLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-4-6(3)16-9(12-4)13-7(14)5(2)11-8(10)15/h5H,1-3H3,(H3,10,11,15)(H,12,13,14).
What are the key properties of 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 242.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47098598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).