N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine

C17H21ClN2S — CID 61335853

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(NC2CC2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN2S/c1-17(2,3)14-10-21-16(20-14)15(19-13-8-9-13)11-4-6-12(18)7-5-11/h4-7,10,13,15,19H,8-9H2,1-3H3
InChIKeyDKRDQTNGUMWEBA-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.94
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine (PubChem CID 61335853) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine
PubChem CID61335853
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(NC2CC2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN2S/c1-17(2,3)14-10-21-16(20-14)15(19-13-8-9-13)11-4-6-12(18)7-5-11/h4-7,10,13,15,19H,8-9H2,1-3H3
InChIKeyDKRDQTNGUMWEBA-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 61345604
N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61346227
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
CID 62070387
N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
CID 61334246
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutyl]cyclopropanamine
CID 61334687
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine
CID 106676115
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 61331630
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine
CID 107133309
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62122089
N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine (CID 61335853) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine is CC(C)(C)c1csc(C(NC2CC2)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine?
The InChIKey is DKRDQTNGUMWEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-17(2,3)14-10-21-16(20-14)15(19-13-8-9-13)11-4-6-12(18)7-5-11/h4-7,10,13,15,19H,8-9H2,1-3H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine has a molecular weight of 320.89 g/mol, XLogP of 4.94, 4 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)-(4-chlorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 61335853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).