N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine

C14H20N4S — CID 79774349

IUPACN-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncccc1CCc1cnc(NC)s1
InChIInChI=1S/C14H20N4S/c1-3-8-16-13-11(5-4-9-17-13)6-7-12-10-18-14(15-2)19-12/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKYXIBFUXBDJVNK-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.19
Rot. Bonds7

About N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine

N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine (PubChem CID 79774349) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine
PubChem CID79774349
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncccc1CCc1cnc(NC)s1
InChIInChI=1S/C14H20N4S/c1-3-8-16-13-11(5-4-9-17-13)6-7-12-10-18-14(15-2)19-12/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKYXIBFUXBDJVNK-UHFFFAOYSA-N
XLogP3.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
CID 79774348
3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55076591
5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 82054770
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 80609142
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576
N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide
CID 114231922
3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075387
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 63965599

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine (CID 79774349) is N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine is CCCNc1ncccc1CCc1cnc(NC)s1.
What is the InChIKey of N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is KYXIBFUXBDJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-8-16-13-11(5-4-9-17-13)6-7-12-10-18-14(15-2)19-12/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine?
N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).