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

C14H18N4OS2 — CID 116664151

IUPAC4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C14H18N4OS2/c1-8(10-4-3-7-20-10)18(2)13(19)11-12(15)17-14(21-11)16-9-5-6-9/h3-4,7-9H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyDLTJOBWAEHPLDA-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.19
Rot. Bonds5

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

4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116664151) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116664151
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C14H18N4OS2/c1-8(10-4-3-7-20-10)18(2)13(19)11-12(15)17-14(21-11)16-9-5-6-9/h3-4,7-9H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyDLTJOBWAEHPLDA-UHFFFAOYSA-N
XLogP3.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664476
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
4-amino-2-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671287
4-amino-2-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116671849
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671641
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55052175
4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669863
4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 65354170
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 116672564

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 116664151) is 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide is CC(c1cccs1)N(C)C(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DLTJOBWAEHPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-8(10-4-3-7-20-10)18(2)13(19)11-12(15)17-14(21-11)16-9-5-6-9/h3-4,7-9H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).