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

C16H23N3OS — CID 105176097

IUPACN-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)c1csc(C)n1
InChIInChI=1S/C16H23N3OS/c1-5-6-18-16(15-10-21-12(4)19-15)13-7-14(9-17-8-13)20-11(2)3/h7-11,16,18H,5-6H2,1-4H3
InChIKeyOOZROKQPZSZHAW-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.72
Rot. Bonds7

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

N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105176097) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID105176097
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)c1csc(C)n1
InChIInChI=1S/C16H23N3OS/c1-5-6-18-16(15-10-21-12(4)19-15)13-7-14(9-17-8-13)20-11(2)3/h7-11,16,18H,5-6H2,1-4H3
InChIKeyOOZROKQPZSZHAW-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorofuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 106692900
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
N-[1-(5-propan-2-yloxy-3-pyridinyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105176149
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
CID 105027295
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105170940
N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105026473
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105027443
N-[(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105025951

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (CID 105176097) is N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(OC(C)C)c1)c1csc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is OOZROKQPZSZHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-6-18-16(15-10-21-12(4)19-15)13-7-14(9-17-8-13)20-11(2)3/h7-11,16,18H,5-6H2,1-4H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105176097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).