4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C14H17N5OS — CID 116670620

IUPAC4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)NCCc1ccncc1
InChIInChI=1S/C14H17N5OS/c15-12-11(21-14(19-12)18-10-1-2-10)13(20)17-8-5-9-3-6-16-7-4-9/h3-4,6-7,10H,1-2,5,8,15H2,(H,17,20)(H,18,19)
InChIKeyKRETTWAYBXHDAY-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.67
Rot. Bonds6

About 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116670620) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116670620
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)NCCc1ccncc1
InChIInChI=1S/C14H17N5OS/c15-12-11(21-14(19-12)18-10-1-2-10)13(20)17-8-5-9-3-6-16-7-4-9/h3-4,6-7,10H,1-2,5,8,15H2,(H,17,20)(H,18,19)
InChIKeyKRETTWAYBXHDAY-UHFFFAOYSA-N
XLogP1.67
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide 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

4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103012934
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665966
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106898376
4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116669160
4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 116668669

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 116670620) is 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is Nc1nc(NC2CC2)sc1C(=O)NCCc1ccncc1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KRETTWAYBXHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-12-11(21-14(19-12)18-10-1-2-10)13(20)17-8-5-9-3-6-16-7-4-9/h3-4,6-7,10H,1-2,5,8,15H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).