[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C14H22N4O2S — CID 116670425

IUPAC[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1nc(NC2CCC2)sc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H22N4O2S/c15-12-11(21-14(17-12)16-10-4-1-5-10)13(20)18-6-2-3-9(7-18)8-19/h9-10,19H,1-8,15H2,(H,16,17)
InChIKeyOTTZBIYRVLNFBN-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.53
Rot. Bonds4

About [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 116670425) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID116670425
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1nc(NC2CCC2)sc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H22N4O2S/c15-12-11(21-14(17-12)16-10-4-1-5-10)13(20)18-6-2-3-9(7-18)8-19/h9-10,19H,1-8,15H2,(H,16,17)
InChIKeyOTTZBIYRVLNFBN-UHFFFAOYSA-N
XLogP1.53
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672448
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-ethylpiperidin-1-yl)methanone
CID 116670390
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 116663176
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 116672564
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229398
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 116663334
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
[3-(aminomethyl)pyrrolidin-1-yl]-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
CID 116665159
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102971716
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 116667373

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 116670425) is [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is Nc1nc(NC2CCC2)sc1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is OTTZBIYRVLNFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c15-12-11(21-14(17-12)16-10-4-1-5-10)13(20)18-6-2-3-9(7-18)8-19/h9-10,19H,1-8,15H2,(H,16,17).
What are the key properties of [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 310.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 116670425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).