N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine

C15H15N3S — CID 19047633

IUPACN-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine
SMILESCCCN(c1ccncc1)c1ccc2sncc2c1
InChIInChI=1S/C15H15N3S/c1-2-9-18(13-5-7-16-8-6-13)14-3-4-15-12(10-14)11-17-19-15/h3-8,10-11H,2,9H2,1H3
InChIKeyDAPHMVXGPSEOHJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.24
Rot. Bonds4

About N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine

N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine (PubChem CID 19047633) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine
PubChem CID19047633
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine
SMILESCCCN(c1ccncc1)c1ccc2sncc2c1
InChIInChI=1S/C15H15N3S/c1-2-9-18(13-5-7-16-8-6-13)14-3-4-15-12(10-14)11-17-19-15/h3-8,10-11H,2,9H2,1H3
InChIKeyDAPHMVXGPSEOHJ-UHFFFAOYSA-N
XLogP4.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropylpyridin-4-amine;hydrochloride
CID 141442378
N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride
CID 19360190
N-(4-chlorophenyl)-N-propylpyridin-3-amine
CID 18005242
5-(chloromethyl)-1,2-benzothiazole
CID 121231926
N-(3,4-difluorophenyl)-N-ethylpyridin-4-amine
CID 18005247
N-butyl-N-(4-nitrophenyl)pyridin-4-amine
CID 125493735
2-(1,2-benzothiazol-5-yl)ethanamine
CID 82599946
N,N,N',N'-tetrapyridin-4-ylmethanediamine
CID 102450361
N-[2-(cyanomethylamino)-2-oxoethyl]-2-[5-(N-propylanilino)-1,3-benzothiazol-2-yl]acetamide
CID 58470726
N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
CID 57117237
6-ethyl-1,2-benzothiazole
CID 70295455
N,N-dimethylpyridin-4-amine;octane;dihydrobromide
CID 174752520

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine?
The IUPAC name of N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine (CID 19047633) is N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine?
The canonical SMILES for N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine is CCCN(c1ccncc1)c1ccc2sncc2c1.
What is the InChIKey of N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine?
The InChIKey is DAPHMVXGPSEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-9-18(13-5-7-16-8-6-13)14-3-4-15-12(10-14)11-17-19-15/h3-8,10-11H,2,9H2,1H3.
What are the key properties of N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine?
N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine has a molecular weight of 269.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyridin-4-yl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 19047633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).