N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide

C15H24N2OS3 — CID 122132298

IUPACN-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide
SMILESCc1nc(C(C)C)sc1C(C)N(C)C(=O)C1CSCCS1
InChIInChI=1S/C15H24N2OS3/c1-9(2)14-16-10(3)13(21-14)11(4)17(5)15(18)12-8-19-6-7-20-12/h9,11-12H,6-8H2,1-5H3
InChIKeyJZIMWBBJQIYSLJ-UHFFFAOYSA-N
MW344.57 g/mol
LogP3.94
Rot. Bonds4

About N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide

N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide (PubChem CID 122132298) has the molecular formula C15H24N2OS3 and a molecular weight of 344.57 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide
PubChem CID122132298
Molecular FormulaC15H24N2OS3
Molecular Weight344.57 g/mol
Exact Mass344.11
IUPAC NameN-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide
SMILESCc1nc(C(C)C)sc1C(C)N(C)C(=O)C1CSCCS1
InChIInChI=1S/C15H24N2OS3/c1-9(2)14-16-10(3)13(21-14)11(4)17(5)15(18)12-8-19-6-7-20-12/h9,11-12H,6-8H2,1-5H3
InChIKeyJZIMWBBJQIYSLJ-UHFFFAOYSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide (CID 122132298) is N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide is Cc1nc(C(C)C)sc1C(C)N(C)C(=O)C1CSCCS1.
What is the InChIKey of N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide?
The InChIKey is JZIMWBBJQIYSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS3/c1-9(2)14-16-10(3)13(21-14)11(4)17(5)15(18)12-8-19-6-7-20-12/h9,11-12H,6-8H2,1-5H3.
What are the key properties of N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide?
N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide has a molecular weight of 344.57 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 122132298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).