4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide

C13H24N4OS — CID 116664385

IUPAC4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)CN(C(=O)c1sc(N(C)C)nc1N)C(C)C
InChIInChI=1S/C13H24N4OS/c1-8(2)7-17(9(3)4)12(18)10-11(14)15-13(19-10)16(5)6/h8-9H,7,14H2,1-6H3
InChIKeyVKMHYROIXWPULB-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 116664385) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID116664385
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)CN(C(=O)c1sc(N(C)C)nc1N)C(C)C
InChIInChI=1S/C13H24N4OS/c1-8(2)7-17(9(3)4)12(18)10-11(14)15-13(19-10)16(5)6/h8-9H,7,14H2,1-6H3
InChIKeyVKMHYROIXWPULB-UHFFFAOYSA-N
XLogP2.30
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116669635
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116669684
4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669530
4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664408
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666508
4-amino-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672125
4-amino-2-(dimethylamino)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671884
4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116669640
4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664295
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-2-(dimethylamino)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 116672545

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 116664385) is 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is CC(C)CN(C(=O)c1sc(N(C)C)nc1N)C(C)C.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VKMHYROIXWPULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-8(2)7-17(9(3)4)12(18)10-11(14)15-13(19-10)16(5)6/h8-9H,7,14H2,1-6H3.
What are the key properties of 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).