N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide

C10H15ClN2OS — CID 60650220

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
SMILESCC(C)(C)c1csc(NC(=O)CCCl)n1
InChIInChI=1S/C10H15ClN2OS/c1-10(2,3)7-6-15-9(12-7)13-8(14)4-5-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyBZLMSEWKTGQYOJ-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.01
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide (PubChem CID 60650220) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
PubChem CID60650220
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
SMILESCC(C)(C)c1csc(NC(=O)CCCl)n1
InChIInChI=1S/C10H15ClN2OS/c1-10(2,3)7-6-15-9(12-7)13-8(14)4-5-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyBZLMSEWKTGQYOJ-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287156
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
3-(benzotriazol-1-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 855784
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
CID 55121500
3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 80695377
4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
CID 86899870
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134065025
2-(1-aminocyclobutyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 79854294

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide (CID 60650220) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide is CC(C)(C)c1csc(NC(=O)CCCl)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide?
The InChIKey is BZLMSEWKTGQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-10(2,3)7-6-15-9(12-7)13-8(14)4-5-11/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide has a molecular weight of 246.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide is sourced from PubChem (CID 60650220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).