N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C15H17N5OS2 — CID 136538806

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1cc2sc(N3CCCC3)nc2s1
InChIInChI=1S/C15H17N5OS2/c1-19-10(4-5-17-19)9-16-13(21)11-8-12-14(22-11)18-15(23-12)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,21)
InChIKeySHUZCPKPDZIVRQ-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.62
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 136538806) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID136538806
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1cc2sc(N3CCCC3)nc2s1
InChIInChI=1S/C15H17N5OS2/c1-19-10(4-5-17-19)9-16-13(21)11-8-12-14(22-11)18-15(23-12)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,21)
InChIKeySHUZCPKPDZIVRQ-UHFFFAOYSA-N
XLogP2.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 136538806) is N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is Cn1nccc1CNC(=O)c1cc2sc(N3CCCC3)nc2s1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is SHUZCPKPDZIVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-19-10(4-5-17-19)9-16-13(21)11-8-12-14(22-11)18-15(23-12)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,21).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 136538806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).