N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C17H21ClN2S — CID 114367891

IUPACN-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1sc(-c2cccc(Cl)c2)nc1C1CC1
InChIInChI=1S/C17H21ClN2S/c1-17(2,3)19-10-14-15(11-7-8-11)20-16(21-14)12-5-4-6-13(18)9-12/h4-6,9,11,19H,7-8,10H2,1-3H3
InChIKeyKJSQKNONDZJGAP-UHFFFAOYSA-N
MW320.89 g/mol
LogP5.23
Rot. Bonds4

About N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114367891) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114367891
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1sc(-c2cccc(Cl)c2)nc1C1CC1
InChIInChI=1S/C17H21ClN2S/c1-17(2,3)19-10-14-15(11-7-8-11)20-16(21-14)12-5-4-6-13(18)9-12/h4-6,9,11,19H,7-8,10H2,1-3H3
InChIKeyKJSQKNONDZJGAP-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.89
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364557
N-[[4-cyclopropyl-2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368059
N-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62402346
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437258
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255
1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 114367052
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542554
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367264
[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82437280

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114367891) is N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1sc(-c2cccc(Cl)c2)nc1C1CC1.
What is the InChIKey of N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KJSQKNONDZJGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-17(2,3)19-10-14-15(11-7-8-11)20-16(21-14)12-5-4-6-13(18)9-12/h4-6,9,11,19H,7-8,10H2,1-3H3.
What are the key properties of N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 320.89 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114367891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).