N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide

C15H25N3OS — CID 110386499

IUPACN-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCN2CCCC2)sc1C(=O)NC(C)(C)C
InChIInChI=1S/C15H25N3OS/c1-11-13(14(19)17-15(2,3)4)20-12(16-11)7-10-18-8-5-6-9-18/h5-10H2,1-4H3,(H,17,19)
InChIKeyMKGBRYBQPVEKGR-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.62
Rot. Bonds4

About N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide

N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110386499) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110386499
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCN2CCCC2)sc1C(=O)NC(C)(C)C
InChIInChI=1S/C15H25N3OS/c1-11-13(14(19)17-15(2,3)4)20-12(16-11)7-10-18-8-5-6-9-18/h5-10H2,1-4H3,(H,17,19)
InChIKeyMKGBRYBQPVEKGR-UHFFFAOYSA-N
XLogP2.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 110386499) is N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CCN2CCCC2)sc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MKGBRYBQPVEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11-13(14(19)17-15(2,3)4)20-12(16-11)7-10-18-8-5-6-9-18/h5-10H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110386499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).