4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C14H24N4O2S — CID 116663311

IUPAC4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)N(C)CC2CCCO2)s1
InChIInChI=1S/C14H24N4O2S/c1-4-18(5-2)14-16-12(15)11(21-14)13(19)17(3)9-10-7-6-8-20-10/h10H,4-9,15H2,1-3H3
InChIKeyCZZCDHMYQGVBOC-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.82
Rot. Bonds6

About 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116663311) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116663311
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)N(C)CC2CCCO2)s1
InChIInChI=1S/C14H24N4O2S/c1-4-18(5-2)14-16-12(15)11(21-14)13(19)17(3)9-10-7-6-8-20-10/h10H,4-9,15H2,1-3H3
InChIKeyCZZCDHMYQGVBOC-UHFFFAOYSA-N
XLogP1.82
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663308
4-amino-2-(tert-butylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663310
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
4-amino-N-cyclohexyl-2-(diethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116668367
4-amino-N-(cyclopentylmethyl)-2-[ethyl(methyl)amino]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666232
4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672061
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671275
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
5-amino-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435935
methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 103509868
4-amino-2-(diethylamino)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670891

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116663311) is 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)N(C)CC2CCCO2)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CZZCDHMYQGVBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-18(5-2)14-16-12(15)11(21-14)13(19)17(3)9-10-7-6-8-20-10/h10H,4-9,15H2,1-3H3.
What are the key properties of 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).