7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine

C13H11ClN2OS — CID 45496421

IUPAC7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c2sc(NCc3ccco3)nc12
InChIInChI=1S/C13H11ClN2OS/c1-8-4-5-10(14)12-11(8)16-13(18-12)15-7-9-3-2-6-17-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyXGUWPAUQQYDUQD-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.46
Rot. Bonds3

About 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine

7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 45496421) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID45496421
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c2sc(NCc3ccco3)nc12
InChIInChI=1S/C13H11ClN2OS/c1-8-4-5-10(14)12-11(8)16-13(18-12)15-7-9-3-2-6-17-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyXGUWPAUQQYDUQD-UHFFFAOYSA-N
XLogP4.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30711431
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 30711551
4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30711514
N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine
CID 126999868
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
1-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
CID 155059859
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 24505587
4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17473672
2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30710060
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine (CID 45496421) is 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine is Cc1ccc(Cl)c2sc(NCc3ccco3)nc12.
What is the InChIKey of 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is XGUWPAUQQYDUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-8-4-5-10(14)12-11(8)16-13(18-12)15-7-9-3-2-6-17-9/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine?
7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 278.76 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 45496421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).