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

C17H23ClN2S — CID 114364557

IUPACN-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(-c2cccc(Cl)c2)sc1CNC(C)(C)C
InChIInChI=1S/C17H23ClN2S/c1-5-7-14-15(11-19-17(2,3)4)21-16(20-14)12-8-6-9-13(18)10-12/h6,8-10,19H,5,7,11H2,1-4H3
InChIKeyYXVPFEMPZCCYFM-UHFFFAOYSA-N
MW322.90 g/mol
LogP5.30
Rot. Bonds5

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

N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114364557) has the molecular formula C17H23ClN2S and a molecular weight of 322.90 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114364557
Molecular FormulaC17H23ClN2S
Molecular Weight322.90 g/mol
Exact Mass322.13
IUPAC NameN-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(-c2cccc(Cl)c2)sc1CNC(C)(C)C
InChIInChI=1S/C17H23ClN2S/c1-5-7-14-15(11-19-17(2,3)4)21-16(20-14)12-8-6-9-13(18)10-12/h6,8-10,19H,5,7,11H2,1-4H3
InChIKeyYXVPFEMPZCCYFM-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.90
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367891
N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364657
2-methyl-N-[[2-(3-methyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364559
2-methyl-N-[[2-(4-methyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364678
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499
3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921876
N-[[2-(3-bromophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364270
2-methyl-N-[[2-(3-methyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364680
N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364551
3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol
CID 28942305
5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 114364576
2-methyl-N-[[2-(3-methylimidazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364552

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114364557) is N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCCc1nc(-c2cccc(Cl)c2)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YXVPFEMPZCCYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2S/c1-5-7-14-15(11-19-17(2,3)4)21-16(20-14)12-8-6-9-13(18)10-12/h6,8-10,19H,5,7,11H2,1-4H3.
What are the key properties of N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 322.90 g/mol, XLogP of 5.30, 5 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-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114364557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).