4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide

C11H17ClN4OS — CID 116672638

IUPAC4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
SMILESC=C(Cl)CNC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C11H17ClN4OS/c1-4-16(5-2)11-15-9(13)8(18-11)10(17)14-6-7(3)12/h3-6,13H2,1-2H3,(H,14,17)
InChIKeyNEEQWAHTUOLIOF-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.05
Rot. Bonds6

About 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116672638) has the molecular formula C11H17ClN4OS and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116672638
Molecular FormulaC11H17ClN4OS
Molecular Weight288.80 g/mol
Exact Mass288.08
IUPAC Name4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
SMILESC=C(Cl)CNC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C11H17ClN4OS/c1-4-16(5-2)11-15-9(13)8(18-11)10(17)14-6-7(3)12/h3-6,13H2,1-2H3,(H,14,17)
InChIKeyNEEQWAHTUOLIOF-UHFFFAOYSA-N
XLogP2.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963
4-amino-2-(diethylamino)-N-(3-methylsulfinylpropyl)-1,3-thiazole-5-carboxamide
CID 116672922
4-amino-2-(diethylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665473
4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
CID 106215829
4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116672887
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-2-(diethylamino)-N-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116671370
4-amino-2-(diethylamino)-N-(1-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116672673
4-amino-2-(diethylamino)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670891
4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
CID 116666618

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide (CID 116672638) is 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide is C=C(Cl)CNC(=O)c1sc(N(CC)CC)nc1N.
What is the InChIKey of 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is NEEQWAHTUOLIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OS/c1-4-16(5-2)11-15-9(13)8(18-11)10(17)14-6-7(3)12/h3-6,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).