6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide

C16H23N5O2S — CID 46943181

IUPAC6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(C)C(N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1
InChIInChI=1S/C16H23N5O2S/c1-10(2)14(17)12-9-24-16(20-12)21-13-5-4-11(8-19-13)15(23)18-6-3-7-22/h4-5,8-10,14,22H,3,6-7,17H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyFZNLNUSJFDYUAO-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.05
Rot. Bonds8

About 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide

6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 46943181) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
PubChem CID46943181
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(C)C(N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1
InChIInChI=1S/C16H23N5O2S/c1-10(2)14(17)12-9-24-16(20-12)21-13-5-4-11(8-19-13)15(23)18-6-3-7-22/h4-5,8-10,14,22H,3,6-7,17H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyFZNLNUSJFDYUAO-UHFFFAOYSA-N
XLogP2.05
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide (CID 46943181) is 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide is CC(C)C(N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1.
What is the InChIKey of 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is FZNLNUSJFDYUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-10(2)14(17)12-9-24-16(20-12)21-13-5-4-11(8-19-13)15(23)18-6-3-7-22/h4-5,8-10,14,22H,3,6-7,17H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide?
6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.05, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 46943181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).