(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide

C16H19N5O2S — CID 95134091

IUPAC(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc([C@@H](CC(=O)Nc2nnc(C3CC3)s2)NC(N)=O)c1
InChIInChI=1S/C16H19N5O2S/c1-9-3-2-4-11(7-9)12(18-15(17)23)8-13(22)19-16-21-20-14(24-16)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H3,17,18,23)(H,19,21,22)/t12-/m1/s1
InChIKeyDUOGWPSCMVWSLE-GFCCVEGCSA-N
MW345.43 g/mol
LogP2.46
Rot. Bonds6

About (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide

(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide (PubChem CID 95134091) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide
PubChem CID95134091
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc([C@@H](CC(=O)Nc2nnc(C3CC3)s2)NC(N)=O)c1
InChIInChI=1S/C16H19N5O2S/c1-9-3-2-4-11(7-9)12(18-15(17)23)8-13(22)19-16-21-20-14(24-16)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H3,17,18,23)(H,19,21,22)/t12-/m1/s1
InChIKeyDUOGWPSCMVWSLE-GFCCVEGCSA-N
XLogP2.46
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide (CID 95134091) is (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide is Cc1cccc([C@@H](CC(=O)Nc2nnc(C3CC3)s2)NC(N)=O)c1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is DUOGWPSCMVWSLE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-9-3-2-4-11(7-9)12(18-15(17)23)8-13(22)19-16-21-20-14(24-16)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H3,17,18,23)(H,19,21,22)/t12-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide?
(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 345.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 95134091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).