4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide

C14H26N4O2S — CID 116664295

IUPAC4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(CCCO)C(C)C)s1
InChIInChI=1S/C14H26N4O2S/c1-5-7-17(4)14-16-12(15)11(21-14)13(20)18(10(2)3)8-6-9-19/h10,19H,5-9,15H2,1-4H3
InChIKeyZFLQZVZYWXLVOM-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.80
Rot. Bonds8

About 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide

4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 116664295) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID116664295
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(CCCO)C(C)C)s1
InChIInChI=1S/C14H26N4O2S/c1-5-7-17(4)14-16-12(15)11(21-14)13(20)18(10(2)3)8-6-9-19/h10,19H,5-9,15H2,1-4H3
InChIKeyZFLQZVZYWXLVOM-UHFFFAOYSA-N
XLogP1.80
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669530
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672485
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672818
4-amino-N-(5-hydroxy-4-methylpentyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106163760
4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672125
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116669640
4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116672366
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
4-amino-N-(2-cyclopropylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672850
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 116670981
4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664385

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 116664295) is 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)N(CCCO)C(C)C)s1.
What is the InChIKey of 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZFLQZVZYWXLVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-7-17(4)14-16-12(15)11(21-14)13(20)18(10(2)3)8-6-9-19/h10,19H,5-9,15H2,1-4H3.
What are the key properties of 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 314.46 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).