N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine

C15H22N4S — CID 82103460

IUPACN',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C15H22N4S/c1-19(2)11-3-7-16-10-6-15-18-14(12-20-15)13-4-8-17-9-5-13/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3
InChIKeyYKMARBSFWLBUHV-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.29
Rot. Bonds8

About N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine (PubChem CID 82103460) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine
PubChem CID82103460
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C15H22N4S/c1-19(2)11-3-7-16-10-6-15-18-14(12-20-15)13-4-8-17-9-5-13/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3
InChIKeyYKMARBSFWLBUHV-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 82103288
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968932
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
2-[2-[2-[3-(dimethylamino)propylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82123896
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 82102962
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
CID 82103343
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine (CID 82103460) is N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine is CN(C)CCCNCCc1nc(-c2ccncc2)cs1.
What is the InChIKey of N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is YKMARBSFWLBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-19(2)11-3-7-16-10-6-15-18-14(12-20-15)13-4-8-17-9-5-13/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 290.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 82103460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).