[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone

C14H24N4OS — CID 116666691

IUPAC[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCCCNc1nc(N)c(C(=O)N2CCCC(C)(C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-4-7-16-13-17-11(15)10(20-13)12(19)18-8-5-6-14(2,3)9-18/h4-9,15H2,1-3H3,(H,16,17)
InChIKeyMXAPKVYSAPAMNM-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.81
Rot. Bonds4

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

[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 116666691) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
PubChem CID116666691
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCCCNc1nc(N)c(C(=O)N2CCCC(C)(C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-4-7-16-13-17-11(15)10(20-13)12(19)18-8-5-6-14(2,3)9-18/h4-9,15H2,1-3H3,(H,16,17)
InChIKeyMXAPKVYSAPAMNM-UHFFFAOYSA-N
XLogP2.81
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 116663178
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666684
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666687
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106317405
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114414561
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317421
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 116673418
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667409
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone (CID 116666691) is [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone is CCCNc1nc(N)c(C(=O)N2CCCC(C)(C)C2)s1.
What is the InChIKey of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is MXAPKVYSAPAMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-7-16-13-17-11(15)10(20-13)12(19)18-8-5-6-14(2,3)9-18/h4-9,15H2,1-3H3,(H,16,17).
What are the key properties of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone?
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 296.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 116666691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).