N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C17H23N3S — CID 107504464

IUPACN-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2cc(C)nc(C)c2)nc1C1CC1
InChIInChI=1S/C17H23N3S/c1-4-7-18-10-15-16(13-5-6-13)20-17(21-15)14-8-11(2)19-12(3)9-14/h8-9,13,18H,4-7,10H2,1-3H3
InChIKeyFIJBAVIBSRZQNA-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.20
Rot. Bonds6

About N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 107504464) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID107504464
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2cc(C)nc(C)c2)nc1C1CC1
InChIInChI=1S/C17H23N3S/c1-4-7-18-10-15-16(13-5-6-13)20-17(21-15)14-8-11(2)19-12(3)9-14/h8-9,13,18H,4-7,10H2,1-3H3
InChIKeyFIJBAVIBSRZQNA-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237
N-[[4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367354
N-[[4-cyclopropyl-2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367335
N-[[4-cyclopropyl-2-(4-fluoro-3-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367361
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82436239
N-[[2-(3-bromo-4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367364
N-[[4-cyclopropyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367341
N-[[2-(5-bromothiophen-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367320
N-[[2-(2-chloro-6-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367369
N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367294
N-[[2-(3-bromo-5-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367216
N-[[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437388

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 107504464) is N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(-c2cc(C)nc(C)c2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is FIJBAVIBSRZQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-7-18-10-15-16(13-5-6-13)20-17(21-15)14-8-11(2)19-12(3)9-14/h8-9,13,18H,4-7,10H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 107504464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).