N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine

C12H10ClN3S2 — CID 164616519

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine
SMILESCc1cc2sncc2cc1NCc1ncc(Cl)s1
InChIInChI=1S/C12H10ClN3S2/c1-7-2-10-8(4-16-18-10)3-9(7)14-6-12-15-5-11(13)17-12/h2-5,14H,6H2,1H3
InChIKeyKDJXXRCZWSZKLV-UHFFFAOYSA-N
MW295.82 g/mol
LogP4.33
Rot. Bonds3

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine (PubChem CID 164616519) has the molecular formula C12H10ClN3S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine
PubChem CID164616519
Molecular FormulaC12H10ClN3S2
Molecular Weight295.82 g/mol
Exact Mass295.00
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine
SMILESCc1cc2sncc2cc1NCc1ncc(Cl)s1
InChIInChI=1S/C12H10ClN3S2/c1-7-2-10-8(4-16-18-10)3-9(7)14-6-12-15-5-11(13)17-12/h2-5,14H,6H2,1H3
InChIKeyKDJXXRCZWSZKLV-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
CID 164619590
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-methyl-1,2-benzothiazol-6-amine
CID 164610254
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoro-1,2-benzothiazol-6-amine
CID 164611317
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
CID 164611814
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164613314
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoro-1,2-benzothiazol-5-amine
CID 164618658
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164621424
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164622394
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine
CID 164623656
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-fluoro-1,2-benzothiazol-5-amine
CID 164623932
N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628451
N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
CID 164609772

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine (CID 164616519) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine is Cc1cc2sncc2cc1NCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine?
The InChIKey is KDJXXRCZWSZKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S2/c1-7-2-10-8(4-16-18-10)3-9(7)14-6-12-15-5-11(13)17-12/h2-5,14H,6H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine has a molecular weight of 295.82 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164616519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).