4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C14H26N4OS — CID 116666471

IUPAC4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C14H26N4OS/c1-8(2)6-7-10(5)17-13(19)11-12(15)18-14(20-11)16-9(3)4/h8-10H,6-7,15H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyHQSFYAIQKSDDIG-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.10
Rot. Bonds7

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

4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116666471) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116666471
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C14H26N4OS/c1-8(2)6-7-10(5)17-13(19)11-12(15)18-14(20-11)16-9(3)4/h8-10H,6-7,15H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyHQSFYAIQKSDDIG-UHFFFAOYSA-N
XLogP3.10
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(6-methylheptan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663763
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663859
4-amino-N-(1-methoxypentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666894
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106199056
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116666471) is 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)CCC(C)NC(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HQSFYAIQKSDDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-8(2)6-7-10(5)17-13(19)11-12(15)18-14(20-11)16-9(3)4/h8-10H,6-7,15H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).