1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine

C15H17N3S2 — CID 71923974

IUPAC1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCC(Cc1nc2ccccc2s1)N(C)Cc1nccs1
InChIInChI=1S/C15H17N3S2/c1-11(18(2)10-15-16-7-8-19-15)9-14-17-12-5-3-4-6-13(12)20-14/h3-8,11H,9-10H2,1-2H3
InChIKeyZCGDPYYHWPDHJG-UHFFFAOYSA-N
MW303.46 g/mol
LogP3.82
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine

1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine (PubChem CID 71923974) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
PubChem CID71923974
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCC(Cc1nc2ccccc2s1)N(C)Cc1nccs1
InChIInChI=1S/C15H17N3S2/c1-11(18(2)10-15-16-7-8-19-15)9-14-17-12-5-3-4-6-13(12)20-14/h3-8,11H,9-10H2,1-2H3
InChIKeyZCGDPYYHWPDHJG-UHFFFAOYSA-N
XLogP3.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 97087949
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 8803349
(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 124758227
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
2-(1,3-benzothiazol-2-ylmethyl)-3-methylbutanoic acid
CID 79819156
1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 47148467
2-(2-chloro-4-methylpentyl)-1,3-benzothiazole
CID 66461954
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
2-(2-chloropentyl)-1,3-benzothiazole
CID 63203228

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine (CID 71923974) is 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine is CC(Cc1nc2ccccc2s1)N(C)Cc1nccs1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The InChIKey is ZCGDPYYHWPDHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-11(18(2)10-15-16-7-8-19-15)9-14-17-12-5-3-4-6-13(12)20-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine has a molecular weight of 303.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 71923974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).