4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C11H18N4OS — CID 45031104

IUPAC4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C11H18N4OS/c1-7(2)13-10(16)8-9(12)14-11(17-8)15-5-3-4-6-15/h7H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyDQTYHVZSHDLEIY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.46
Rot. Bonds3

About 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 45031104) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID45031104
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C11H18N4OS/c1-7(2)13-10(16)8-9(12)14-11(17-8)15-5-3-4-6-15/h7H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyDQTYHVZSHDLEIY-UHFFFAOYSA-N
XLogP1.46
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 45031104) is 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CC(C)NC(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DQTYHVZSHDLEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(2)13-10(16)8-9(12)14-11(17-8)15-5-3-4-6-15/h7H,3-6,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45031104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).