6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine

C14H13ClN2OS — CID 79525693

IUPAC6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
SMILESCC(Cc1ccco1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C14H13ClN2OS/c1-9(7-11-3-2-6-18-11)16-14-17-12-5-4-10(15)8-13(12)19-14/h2-6,8-9H,7H2,1H3,(H,16,17)
InChIKeyIMJOEYPZEVQLBW-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.59
Rot. Bonds4

About 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine

6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine (PubChem CID 79525693) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
PubChem CID79525693
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
SMILESCC(Cc1ccco1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C14H13ClN2OS/c1-9(7-11-3-2-6-18-11)16-14-17-12-5-4-10(15)8-13(12)19-14/h2-6,8-9H,7H2,1H3,(H,16,17)
InChIKeyIMJOEYPZEVQLBW-UHFFFAOYSA-N
XLogP4.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-phenylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79526366
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79526067
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-[6-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]amino]-2-oxoethyl]-1,3-benzothiazol-2-yl]propanamide
CID 92866148
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525014
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79525887
5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
CID 66278120
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79525588
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline
CID 116698821

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine (CID 79525693) is 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine is CC(Cc1ccco1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine?
The InChIKey is IMJOEYPZEVQLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9(7-11-3-2-6-18-11)16-14-17-12-5-4-10(15)8-13(12)19-14/h2-6,8-9H,7H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine?
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine has a molecular weight of 292.79 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).