N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide

C16H19N3OS2 — CID 155282786

IUPACN-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)C1CSC(c2nc3ccc(C(C)C)cc3s2)=N1
InChIInChI=1S/C16H19N3OS2/c1-4-17-14(20)12-8-21-15(19-12)16-18-11-6-5-10(9(2)3)7-13(11)22-16/h5-7,9,12H,4,8H2,1-3H3,(H,17,20)
InChIKeyAWISZAMVCKRICN-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.42
Rot. Bonds4

About N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide

N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 155282786) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID155282786
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC NameN-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)C1CSC(c2nc3ccc(C(C)C)cc3s2)=N1
InChIInChI=1S/C16H19N3OS2/c1-4-17-14(20)12-8-21-15(19-12)16-18-11-6-5-10(9(2)3)7-13(11)22-16/h5-7,9,12H,4,8H2,1-3H3,(H,17,20)
InChIKeyAWISZAMVCKRICN-UHFFFAOYSA-N
XLogP3.42
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 155282786) is N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide is CCNC(=O)C1CSC(c2nc3ccc(C(C)C)cc3s2)=N1.
What is the InChIKey of N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is AWISZAMVCKRICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-4-17-14(20)12-8-21-15(19-12)16-18-11-6-5-10(9(2)3)7-13(11)22-16/h5-7,9,12H,4,8H2,1-3H3,(H,17,20).
What are the key properties of N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155282786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).