4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide

C13H24N4O3S — CID 106163749

IUPAC4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NC(CCO)COC)s1
InChIInChI=1S/C13H24N4O3S/c1-4-17(5-2)13-16-11(14)10(21-13)12(19)15-9(6-7-18)8-20-3/h9,18H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyPNTRXXWSZMXOLP-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.70
Rot. Bonds9

About 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 106163749) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID106163749
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NC(CCO)COC)s1
InChIInChI=1S/C13H24N4O3S/c1-4-17(5-2)13-16-11(14)10(21-13)12(19)15-9(6-7-18)8-20-3/h9,18H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyPNTRXXWSZMXOLP-UHFFFAOYSA-N
XLogP0.70
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666874
4-amino-2-(diethylamino)-N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116673688
4-amino-2-(diethylamino)-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663278
4-amino-2-(diethylamino)-N-pent-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233150
4-amino-N-(1-methoxypentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666894
4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116672740
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116666579
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-2-[ethyl(methyl)amino]-N-hexan-3-yl-1,3-thiazole-5-carboxamide
CID 116665198
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106199056
4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
CID 116666618
4-amino-2-(dimethylamino)-N-(1-hydroxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358502

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide (CID 106163749) is 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)NC(CCO)COC)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PNTRXXWSZMXOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-4-17(5-2)13-16-11(14)10(21-13)12(19)15-9(6-7-18)8-20-3/h9,18H,4-8,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 0.70, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106163749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).