N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine

C11H10ClN5S — CID 168584143

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine
SMILESCn1nnc2cc(NCc3cnc(Cl)s3)ccc21
InChIInChI=1S/C11H10ClN5S/c1-17-10-3-2-7(4-9(10)15-16-17)13-5-8-6-14-11(12)18-8/h2-4,6,13H,5H2,1H3
InChIKeyUJYMEUSCMVKLFZ-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.69
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine (PubChem CID 168584143) has the molecular formula C11H10ClN5S and a molecular weight of 279.76 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine
PubChem CID168584143
Molecular FormulaC11H10ClN5S
Molecular Weight279.76 g/mol
Exact Mass279.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine
SMILESCn1nnc2cc(NCc3cnc(Cl)s3)ccc21
InChIInChI=1S/C11H10ClN5S/c1-17-10-3-2-7(4-9(10)15-16-17)13-5-8-6-14-11(12)18-8/h2-4,6,13H,5H2,1H3
InChIKeyUJYMEUSCMVKLFZ-UHFFFAOYSA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol
CID 168582471
2-tert-butyl-5-[(2-chloro-1,3-thiazol-5-yl)methylamino]isoindole-1,3-dione
CID 168581821
1-chloro-3-[(1-methylbenzotriazol-5-yl)amino]propan-2-ol
CID 168637550
7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one
CID 168582587
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine
CID 168581212
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-ethoxynaphthalen-2-amine
CID 168582544
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]-4-methylsulfonylaniline
CID 168579595
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylbenzoate
CID 168580385

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine (CID 168584143) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine is Cn1nnc2cc(NCc3cnc(Cl)s3)ccc21.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine?
The InChIKey is UJYMEUSCMVKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5S/c1-17-10-3-2-7(4-9(10)15-16-17)13-5-8-6-14-11(12)18-8/h2-4,6,13H,5H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine has a molecular weight of 279.76 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine is sourced from PubChem (CID 168584143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).