[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H24N4OS — CID 114598037

IUPAC[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2sc(NC3CC3)nc2N)C1
InChIInChI=1S/C15H24N4OS/c1-8-6-9(2)10(3)19(7-8)14(20)12-13(16)18-15(21-12)17-11-4-5-11/h8-11H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyQKUBYXTWZQCUKQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.81
Rot. Bonds3

About [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114598037) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114598037
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2sc(NC3CC3)nc2N)C1
InChIInChI=1S/C15H24N4OS/c1-8-6-9(2)10(3)19(7-8)14(20)12-13(16)18-15(21-12)17-11-4-5-11/h8-11H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyQKUBYXTWZQCUKQ-UHFFFAOYSA-N
XLogP2.81
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone
CID 116665334
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-2-(cyclopropylamino)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 116667070
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 116672564
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
CID 116667333
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 116665237
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 116663176
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672448
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114598037) is [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2sc(NC3CC3)nc2N)C1.
What is the InChIKey of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is QKUBYXTWZQCUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-8-6-9(2)10(3)19(7-8)14(20)12-13(16)18-15(21-12)17-11-4-5-11/h8-11H,4-7,16H2,1-3H3,(H,17,18).
What are the key properties of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114598037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).