N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C17H23N3S — CID 114364454

IUPACN-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCCc1nc(-c2ccncc2CC)sc1CNC1CC1
InChIInChI=1S/C17H23N3S/c1-3-5-15-16(11-19-13-6-7-13)21-17(20-15)14-8-9-18-10-12(14)4-2/h8-10,13,19H,3-7,11H2,1-2H3
InChIKeySNVPAVHOGSANAU-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.97
Rot. Bonds7

About N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114364454) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114364454
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCCc1nc(-c2ccncc2CC)sc1CNC1CC1
InChIInChI=1S/C17H23N3S/c1-3-5-15-16(11-19-13-6-7-13)21-17(20-15)14-8-9-18-10-12(14)4-2/h8-10,13,19H,3-7,11H2,1-2H3
InChIKeySNVPAVHOGSANAU-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114364454) is N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCCc1nc(-c2ccncc2CC)sc1CNC1CC1.
What is the InChIKey of N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is SNVPAVHOGSANAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-5-15-16(11-19-13-6-7-13)21-17(20-15)14-8-9-18-10-12(14)4-2/h8-10,13,19H,3-7,11H2,1-2H3.
What are the key properties of N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 301.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114364454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).