N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C16H21N3O2S2 — CID 139007461

IUPACN-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOCC(NC(=O)c1cc2sc(N3CCCC3)nc2s1)C1CC1
InChIInChI=1S/C16H21N3O2S2/c1-21-9-11(10-4-5-10)17-14(20)12-8-13-15(22-12)18-16(23-13)19-6-2-3-7-19/h8,10-11H,2-7,9H2,1H3,(H,17,20)
InChIKeyZWZXARACFSMRFB-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.11
Rot. Bonds6

About N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 139007461) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID139007461
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOCC(NC(=O)c1cc2sc(N3CCCC3)nc2s1)C1CC1
InChIInChI=1S/C16H21N3O2S2/c1-21-9-11(10-4-5-10)17-14(20)12-8-13-15(22-12)18-16(23-13)19-6-2-3-7-19/h8,10-11H,2-7,9H2,1H3,(H,17,20)
InChIKeyZWZXARACFSMRFB-UHFFFAOYSA-N
XLogP3.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 139007461) is N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is COCC(NC(=O)c1cc2sc(N3CCCC3)nc2s1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ZWZXARACFSMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-21-9-11(10-4-5-10)17-14(20)12-8-13-15(22-12)18-16(23-13)19-6-2-3-7-19/h8,10-11H,2-7,9H2,1H3,(H,17,20).
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 139007461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).