4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

C13H24N4O3S — CID 116672818

IUPAC4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(CCO)CCOC)s1
InChIInChI=1S/C13H24N4O3S/c1-4-5-16(2)13-15-11(14)10(21-13)12(19)17(6-8-18)7-9-20-3/h18H,4-9,14H2,1-3H3
InChIKeyOKHPADSRNYMDKE-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.65
Rot. Bonds9

About 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116672818) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116672818
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(CCO)CCOC)s1
InChIInChI=1S/C13H24N4O3S/c1-4-5-16(2)13-15-11(14)10(21-13)12(19)17(6-8-18)7-9-20-3/h18H,4-9,14H2,1-3H3
InChIKeyOKHPADSRNYMDKE-UHFFFAOYSA-N
XLogP0.65
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116664214
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 116665037
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672485
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116663495
4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664295
4-amino-2-(diethylamino)-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663278
4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 116672821
4-amino-N-[(3-hydroxycyclobutyl)methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671049
4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116672366
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 114759737

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116672818) is 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)N(CCO)CCOC)s1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is OKHPADSRNYMDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-4-5-16(2)13-15-11(14)10(21-13)12(19)17(6-8-18)7-9-20-3/h18H,4-9,14H2,1-3H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 0.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).