N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine

C17H25N3S — CID 174528641

IUPACN-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine
SMILESCCCCCCCN(CCc1cscn1)c1ccncc1
InChIInChI=1S/C17H25N3S/c1-2-3-4-5-6-12-20(17-7-10-18-11-8-17)13-9-16-14-21-15-19-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3
InChIKeySCDLWDRSNRUCRB-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.56
Rot. Bonds10

About N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine

N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine (PubChem CID 174528641) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound NameN-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine
PubChem CID174528641
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine
SMILESCCCCCCCN(CCc1cscn1)c1ccncc1
InChIInChI=1S/C17H25N3S/c1-2-3-4-5-6-12-20(17-7-10-18-11-8-17)13-9-16-14-21-15-19-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3
InChIKeySCDLWDRSNRUCRB-UHFFFAOYSA-N
XLogP4.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 141142072
4-heptyl-1,3-thiazole;octane
CID 91422595
6-chloro-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 174528643
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N,N-dipropylpyridin-4-amine;hydrochloride
CID 141442378
4-[nonyl(pentyl)amino]phenol
CID 174874757
N,N-di(nonyl)aniline
CID 22637953
N,N-dimethylpyridin-4-amine;octane;dihydrobromide
CID 174752520
N,N-diheptyl-4-methylaniline
CID 20558578
N,4-dibutyl-N-octylaniline
CID 175203597
N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679458
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine?
The IUPAC name of N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine (CID 174528641) is N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine?
The canonical SMILES for N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine is CCCCCCCN(CCc1cscn1)c1ccncc1.
What is the InChIKey of N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine?
The InChIKey is SCDLWDRSNRUCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-3-4-5-6-12-20(17-7-10-18-11-8-17)13-9-16-14-21-15-19-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3.
What are the key properties of N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine?
N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine has a molecular weight of 303.47 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 174528641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).