(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide

C14H21N3O2S2 — CID 94806028

IUPAC(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
SMILESCCC(=O)N[C@H](CCSC)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H21N3O2S2/c1-3-12(18)15-10(6-7-20-2)13(19)17-14-16-11(8-21-14)9-4-5-9/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17,19)/t10-/m1/s1
InChIKeyFSNPTWLSUIBGGO-SNVBAGLBSA-N
MW327.48 g/mol
LogP2.61
Rot. Bonds8

About (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide

(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide (PubChem CID 94806028) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
PubChem CID94806028
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
SMILESCCC(=O)N[C@H](CCSC)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H21N3O2S2/c1-3-12(18)15-10(6-7-20-2)13(19)17-14-16-11(8-21-14)9-4-5-9/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17,19)/t10-/m1/s1
InChIKeyFSNPTWLSUIBGGO-SNVBAGLBSA-N
XLogP2.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94806027
N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide
CID 56782412
(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94191032
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide
CID 54959133
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32864950
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94817188
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 106112621
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide?
The IUPAC name of (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide (CID 94806028) is (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide.
What is the SMILES notation for (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide?
The canonical SMILES for (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide is CCC(=O)N[C@H](CCSC)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide?
The InChIKey is FSNPTWLSUIBGGO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-3-12(18)15-10(6-7-20-2)13(19)17-14-16-11(8-21-14)9-4-5-9/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17,19)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide?
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide has a molecular weight of 327.48 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide is sourced from PubChem (CID 94806028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).