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

C17H25N3S — CID 114364114

IUPACN-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(-c2ncccc2CC)sc1CNC(C)C
InChIInChI=1S/C17H25N3S/c1-5-8-14-15(11-19-12(3)4)21-17(20-14)16-13(6-2)9-7-10-18-16/h7,9-10,12,19H,5-6,8,11H2,1-4H3
InChIKeyHHSAIBPLSHQMED-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.22
Rot. Bonds7

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

N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114364114) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114364114
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(-c2ncccc2CC)sc1CNC(C)C
InChIInChI=1S/C17H25N3S/c1-5-8-14-15(11-19-12(3)4)21-17(20-14)16-13(6-2)9-7-10-18-16/h7,9-10,12,19H,5-6,8,11H2,1-4H3
InChIKeyHHSAIBPLSHQMED-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-bromophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364270
1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365915
N-[[2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364132
2-methyl-N-[[2-(3-methyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364559
N-[[2-(3-ethyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365516
N-[[2-(1-methylpyrazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364134
1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 82741103
N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841727
N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364174
N-[[2-(2-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107924104
2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 82741413
N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366521

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114364114) is N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(-c2ncccc2CC)sc1CNC(C)C.
What is the InChIKey of N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is HHSAIBPLSHQMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-8-14-15(11-19-12(3)4)21-17(20-14)16-13(6-2)9-7-10-18-16/h7,9-10,12,19H,5-6,8,11H2,1-4H3.
What are the key properties of N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.22, 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-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114364114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).