N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

C14H24N2OS — CID 110649255

IUPACN-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)CCNC(=O)CCc1nc(C(C)C)cs1
InChIInChI=1S/C14H24N2OS/c1-10(2)7-8-15-13(17)5-6-14-16-12(9-18-14)11(3)4/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyXHPGMXRFXXGGBU-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.36
Rot. Bonds7

About N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110649255) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110649255
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)CCNC(=O)CCc1nc(C(C)C)cs1
InChIInChI=1S/C14H24N2OS/c1-10(2)7-8-15-13(17)5-6-14-16-12(9-18-14)11(3)4/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyXHPGMXRFXXGGBU-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 131951418
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110415644
4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897377
N-(4-chlorophenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110650032
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
methyl 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propanoylamino]benzoate
CID 110409557
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388612
4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110440220
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 110441243

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 110649255) is N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)CCNC(=O)CCc1nc(C(C)C)cs1.
What is the InChIKey of N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XHPGMXRFXXGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)7-8-15-13(17)5-6-14-16-12(9-18-14)11(3)4/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 268.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110649255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).