4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide

C13H24N4OS — CID 102909085

IUPAC4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCC(C(C)C)C(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-7(2)9(8(3)4)6-16-12(18)10-11(14)17-13(15-5)19-10/h7-9H,6,14H2,1-5H3,(H,15,17)(H,16,18)
InChIKeySBGOUJGJFZGOGL-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.42
Rot. Bonds6

About 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 102909085) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID102909085
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCC(C(C)C)C(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-7(2)9(8(3)4)6-16-12(18)10-11(14)17-13(15-5)19-10/h7-9H,6,14H2,1-5H3,(H,15,17)(H,16,18)
InChIKeySBGOUJGJFZGOGL-UHFFFAOYSA-N
XLogP2.42
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105
4-amino-N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106118701
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide (CID 102909085) is 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NCC(C(C)C)C(C)C)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SBGOUJGJFZGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-7(2)9(8(3)4)6-16-12(18)10-11(14)17-13(15-5)19-10/h7-9H,6,14H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 102909085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).