4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide

C15H26N4OS — CID 116672281

IUPAC4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1sc(N2CCCC2)nc1N)C(C)(C)C
InChIInChI=1S/C15H26N4OS/c1-10(15(2,3)4)9-17-13(20)11-12(16)18-14(21-11)19-7-5-6-8-19/h10H,5-9,16H2,1-4H3,(H,17,20)
InChIKeyQVOJBAYCELIHHT-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.74
Rot. Bonds4

About 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide

4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 116672281) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID116672281
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1sc(N2CCCC2)nc1N)C(C)(C)C
InChIInChI=1S/C15H26N4OS/c1-10(15(2,3)4)9-17-13(20)11-12(16)18-14(21-11)19-7-5-6-8-19/h10H,5-9,16H2,1-4H3,(H,17,20)
InChIKeyQVOJBAYCELIHHT-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667677
4-amino-N-(2-ethoxy-2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 114944967
4-amino-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669024
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667664
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106358505
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669758
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116665544
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
4-amino-N-pent-3-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673390

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide (CID 116672281) is 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide is CC(CNC(=O)c1sc(N2CCCC2)nc1N)C(C)(C)C.
What is the InChIKey of 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QVOJBAYCELIHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10(15(2,3)4)9-17-13(20)11-12(16)18-14(21-11)19-7-5-6-8-19/h10H,5-9,16H2,1-4H3,(H,17,20).
What are the key properties of 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).