1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

C12H20ClN3S — CID 104879601

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2ncc(Cl)s2)CC1
InChIInChI=1S/C12H20ClN3S/c1-12(3-5-16(2)6-4-12)9-14-8-11-15-7-10(13)17-11/h7,14H,3-6,8-9H2,1-2H3
InChIKeyDTCAFQGJPNESFM-UHFFFAOYSA-N
MW273.83 g/mol
LogP2.62
Rot. Bonds4

About 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (PubChem CID 104879601) has the molecular formula C12H20ClN3S and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
PubChem CID104879601
Molecular FormulaC12H20ClN3S
Molecular Weight273.83 g/mol
Exact Mass273.11
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2ncc(Cl)s2)CC1
InChIInChI=1S/C12H20ClN3S/c1-12(3-5-16(2)6-4-12)9-14-8-11-15-7-10(13)17-11/h7,14H,3-6,8-9H2,1-2H3
InChIKeyDTCAFQGJPNESFM-UHFFFAOYSA-N
XLogP2.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1,3-thiazol-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 104879340
1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 104879343
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 104954546
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103992131
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991987
1-(5-chloro-1,3-thiazol-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
CID 107124099
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 104878846
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine
CID 103992157
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 113255341
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 107163357

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (CID 104879601) is 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is CN1CCC(C)(CNCc2ncc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The InChIKey is DTCAFQGJPNESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3S/c1-12(3-5-16(2)6-4-12)9-14-8-11-15-7-10(13)17-11/h7,14H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine has a molecular weight of 273.83 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is sourced from PubChem (CID 104879601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).