4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C13H18N4OS — CID 116671896

IUPAC4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESC#CCN(CC)C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H18N4OS/c1-3-7-16(4-2)12(18)10-11(14)15-13(19-10)17-8-5-6-9-17/h1H,4-9,14H2,2H3
InChIKeyYYCWEXKHQMKDJJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116671896) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116671896
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESC#CCN(CC)C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H18N4OS/c1-3-7-16(4-2)12(18)10-11(14)15-13(19-10)17-8-5-6-9-17/h1H,4-9,14H2,2H3
InChIKeyYYCWEXKHQMKDJJ-UHFFFAOYSA-N
XLogP1.42
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
CID 96603841
4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671879
4-amino-2-(3-aminopiperidin-1-yl)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671883
4-amino-N-(2-amino-2-oxoethyl)-2-(azepan-1-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669853
4-amino-2-(azepan-1-yl)-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669443
4-amino-N-cyclopentyl-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669506
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
4-amino-N-(2-methoxyethyl)-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116663288
4-amino-N-pent-3-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673390
4-amino-2-(3-aminopyrrolidin-1-yl)-N-ethyl-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670698
propyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 116674041
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106918863

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 116671896) is 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is C#CCN(CC)C(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is YYCWEXKHQMKDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-7-16(4-2)12(18)10-11(14)15-13(19-10)17-8-5-6-9-17/h1H,4-9,14H2,2H3.
What are the key properties of 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).