3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide

C18H29N3O2S — CID 4130975

IUPAC3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
SMILESCc1nc(NC(=O)CN(C(=O)CCC2CCCC2)C(C)C)sc1C
InChIInChI=1S/C18H29N3O2S/c1-12(2)21(17(23)10-9-15-7-5-6-8-15)11-16(22)20-18-19-13(3)14(4)24-18/h12,15H,5-11H2,1-4H3,(H,19,20,22)
InChIKeyDLWAUILNTANQLD-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.91
Rot. Bonds7

About 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide

3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide (PubChem CID 4130975) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
PubChem CID4130975
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
SMILESCc1nc(NC(=O)CN(C(=O)CCC2CCCC2)C(C)C)sc1C
InChIInChI=1S/C18H29N3O2S/c1-12(2)21(17(23)10-9-15-7-5-6-8-15)11-16(22)20-18-19-13(3)14(4)24-18/h12,15H,5-11H2,1-4H3,(H,19,20,22)
InChIKeyDLWAUILNTANQLD-UHFFFAOYSA-N
XLogP3.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4278865
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 42768385
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4217524
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42769112
N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 5241180
N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 814106
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
CID 4584251
6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
CID 42793787
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide
CID 136546763
3-bromo-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3495587
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 51077970

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide (CID 4130975) is 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide is Cc1nc(NC(=O)CN(C(=O)CCC2CCCC2)C(C)C)sc1C.
What is the InChIKey of 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The InChIKey is DLWAUILNTANQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-12(2)21(17(23)10-9-15-7-5-6-8-15)11-16(22)20-18-19-13(3)14(4)24-18/h12,15H,5-11H2,1-4H3,(H,19,20,22).
What are the key properties of 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide has a molecular weight of 351.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 4130975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).