(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

C14H22N4OS — CID 116665932

IUPAC(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C14H22N4OS/c1-14(2)6-5-9-18(14)12(19)10-11(15)16-13(20-10)17-7-3-4-8-17/h3-9,15H2,1-2H3
InChIKeyGVOROMFVYKFIEO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.34
Rot. Bonds2

About (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 116665932) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID116665932
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C14H22N4OS/c1-14(2)6-5-9-18(14)12(19)10-11(15)16-13(20-10)17-7-3-4-8-17/h3-9,15H2,1-2H3
InChIKeyGVOROMFVYKFIEO-UHFFFAOYSA-N
XLogP2.34
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664825
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
CID 96603841
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 116669483
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 116669141
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
4-amino-N-(2-amino-2-oxoethyl)-2-(azepan-1-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669853
propyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 116674041
4-amino-2-(azepan-1-yl)-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669443

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 116665932) is (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCCN1C(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is GVOROMFVYKFIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-14(2)6-5-9-18(14)12(19)10-11(15)16-13(20-10)17-7-3-4-8-17/h3-9,15H2,1-2H3.
What are the key properties of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116665932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).