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

C13H21N5O2S — CID 116668669

IUPAC4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C13H21N5O2S/c14-11-10(21-13(17-11)16-9-1-2-9)12(19)15-3-4-18-5-7-20-8-6-18/h9H,1-8,14H2,(H,15,19)(H,16,17)
InChIKeyHCYDNJRALCJDJY-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.36
Rot. Bonds6

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

4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116668669) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116668669
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C13H21N5O2S/c14-11-10(21-13(17-11)16-9-1-2-9)12(19)15-3-4-18-5-7-20-8-6-18/h9H,1-8,14H2,(H,15,19)(H,16,17)
InChIKeyHCYDNJRALCJDJY-UHFFFAOYSA-N
XLogP0.36
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103012934
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116672432
4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 116670620
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 114102698

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 116668669) is 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is Nc1nc(NC2CC2)sc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HCYDNJRALCJDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c14-11-10(21-13(17-11)16-9-1-2-9)12(19)15-3-4-18-5-7-20-8-6-18/h9H,1-8,14H2,(H,15,19)(H,16,17).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).