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

C10H11ClN2S2 — CID 79420261

IUPAC1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2cc(Cl)cs2)s1
InChIInChI=1S/C10H11ClN2S2/c1-7-13-5-10(15-7)4-12-3-9-2-8(11)6-14-9/h2,5-6,12H,3-4H2,1H3
InChIKeyWYOWJPMQEBLVSS-UHFFFAOYSA-N
MW258.80 g/mol
LogP3.46
Rot. Bonds4

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

1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 79420261) has the molecular formula C10H11ClN2S2 and a molecular weight of 258.80 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID79420261
Molecular FormulaC10H11ClN2S2
Molecular Weight258.80 g/mol
Exact Mass258.01
IUPAC Name1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2cc(Cl)cs2)s1
InChIInChI=1S/C10H11ClN2S2/c1-7-13-5-10(15-7)4-12-3-9-2-8(11)6-14-9/h2,5-6,12H,3-4H2,1H3
InChIKeyWYOWJPMQEBLVSS-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61282967
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115627575
N-[(4-chlorothiophen-2-yl)methyl]prop-2-yn-1-amine
CID 79420548
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 78943713
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 104953648
3,5-dichloro-N-[[5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrazin-2-yl]methyl]benzenesulfonamide
CID 123979853
1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61281619
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699159
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 61282966
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 79420261) is 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncc(CNCc2cc(Cl)cs2)s1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is WYOWJPMQEBLVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S2/c1-7-13-5-10(15-7)4-12-3-9-2-8(11)6-14-9/h2,5-6,12H,3-4H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 258.80 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 79420261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).