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

C15H28N4OS — CID 116664402

IUPAC4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCCCN(C(=O)c1sc(NC(C)C)nc1N)C(C)CC
InChIInChI=1S/C15H28N4OS/c1-6-8-9-19(11(5)7-2)14(20)12-13(16)18-15(21-12)17-10(3)4/h10-11H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyMLQUXTMUEHCAHE-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.59
Rot. Bonds8

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

4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664402) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664402
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCCCCN(C(=O)c1sc(NC(C)C)nc1N)C(C)CC
InChIInChI=1S/C15H28N4OS/c1-6-8-9-19(11(5)7-2)14(20)12-13(16)18-15(21-12)17-10(3)4/h10-11H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyMLQUXTMUEHCAHE-UHFFFAOYSA-N
XLogP3.59
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351
propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674047
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664503
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-N-propan-2-yl-2-(propan-2-ylamino)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672134
4-amino-N-(cyclopropylmethyl)-2-(propan-2-ylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663404
4-amino-N-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
4-amino-N-ethyl-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663472
4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861
4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116671321
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669894

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116664402) is 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CCCCN(C(=O)c1sc(NC(C)C)nc1N)C(C)CC.
What is the InChIKey of 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is MLQUXTMUEHCAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-6-8-9-19(11(5)7-2)14(20)12-13(16)18-15(21-12)17-10(3)4/h10-11H,6-9,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).