2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide

C12H19N3OS — CID 54959133

IUPAC2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-2-3-4-9(13)11(16)15-12-14-10(7-17-12)8-5-6-8/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyRIEDNFLYGHVUNH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.48
Rot. Bonds6

About 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide

2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide (PubChem CID 54959133) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide
PubChem CID54959133
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-2-3-4-9(13)11(16)15-12-14-10(7-17-12)8-5-6-8/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyRIEDNFLYGHVUNH-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 106112621
N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide
CID 56782412
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94806028
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94806027
(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32864950
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide
CID 79805640
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide (CID 54959133) is 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide is CCCCC(N)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide?
The InChIKey is RIEDNFLYGHVUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-3-4-9(13)11(16)15-12-14-10(7-17-12)8-5-6-8/h7-9H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide?
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide has a molecular weight of 253.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 54959133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).