4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide

C13H24N4OS — CID 116664607

IUPAC4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC(C)(C)CC(C)(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-12(2,3)7-13(4,5)17-10(18)8-9(14)16-11(15-6)19-8/h7,14H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyQZKXMWWMHPUAKW-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.71
Rot. Bonds4

About 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116664607) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116664607
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC(C)(C)CC(C)(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-12(2,3)7-13(4,5)17-10(18)8-9(14)16-11(15-6)19-8/h7,14H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyQZKXMWWMHPUAKW-UHFFFAOYSA-N
XLogP2.71
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(propan-2-yl)-2-(pyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 45031104
4-amino-2-(propan-2-ylamino)-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-carboxamide
CID 105942011
4-amino-2-(propylamino)-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-carboxamide
CID 105942015
4-amino-2-(2-methylpropylamino)-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-carboxamide
CID 105942020
4-amino-2-(tert-butylamino)-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-carboxamide
CID 105942022
4-amino-2-(cyclobutylamino)-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-carboxamide
CID 105942030
4-amino-2-(methylamino)-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-carboxamide
CID 105942035
4-amino-2-(ethylamino)-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazole-5-carboxamide
CID 105942039
4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
CID 106215834
4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
CID 106215837
4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
CID 106215838
4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
CID 106215839

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide (CID 116664607) is 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NC(C)(C)CC(C)(C)C)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is QZKXMWWMHPUAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-12(2,3)7-13(4,5)17-10(18)8-9(14)16-11(15-6)19-8/h7,14H2,1-6H3,(H,15,16)(H,17,18).
What are the key properties of 4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.71, 4 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-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).