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

C15H14ClN3S2 — CID 168581794

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
SMILESCc1nc(-c2cccc(NCc3cnc(Cl)s3)c2)sc1C
InChIInChI=1S/C15H14ClN3S2/c1-9-10(2)20-14(19-9)11-4-3-5-12(6-11)17-7-13-8-18-15(16)21-13/h3-6,8,17H,7H2,1-2H3
InChIKeyFJAIOOGOFIKDTL-UHFFFAOYSA-N
MW335.89 g/mol
LogP5.15
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline (PubChem CID 168581794) has the molecular formula C15H14ClN3S2 and a molecular weight of 335.89 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
PubChem CID168581794
Molecular FormulaC15H14ClN3S2
Molecular Weight335.89 g/mol
Exact Mass335.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
SMILESCc1nc(-c2cccc(NCc3cnc(Cl)s3)c2)sc1C
InChIInChI=1S/C15H14ClN3S2/c1-9-10(2)20-14(19-9)11-4-3-5-12(6-11)17-7-13-8-18-15(16)21-13/h3-6,8,17H,7H2,1-2H3
InChIKeyFJAIOOGOFIKDTL-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.89
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol
CID 168582662
3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168580875
2-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 168580272
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline
CID 168583427
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(difluoromethylsulfanyl)aniline
CID 168581415
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(trifluoromethoxy)aniline
CID 168579556
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-iodophenyl)-1,3-benzoxazol-5-amine
CID 168583468

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline (CID 168581794) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline is Cc1nc(-c2cccc(NCc3cnc(Cl)s3)c2)sc1C.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline?
The InChIKey is FJAIOOGOFIKDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S2/c1-9-10(2)20-14(19-9)11-4-3-5-12(6-11)17-7-13-8-18-15(16)21-13/h3-6,8,17H,7H2,1-2H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline has a molecular weight of 335.89 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 168581794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).