N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C16H25N3O2S2 — CID 60607390

IUPACN-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(C(=O)CSC(C)(C)C)CC1
InChIInChI=1S/C16H25N3O2S2/c1-11-14(22-10-17-11)15(21)18-12-5-7-19(8-6-12)13(20)9-23-16(2,3)4/h10,12H,5-9H2,1-4H3,(H,18,21)
InChIKeyMYRNYZHFWHNILJ-UHFFFAOYSA-N
MW355.53 g/mol
LogP2.70
Rot. Bonds4

About N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 60607390) has the molecular formula C16H25N3O2S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID60607390
Molecular FormulaC16H25N3O2S2
Molecular Weight355.53 g/mol
Exact Mass355.14
IUPAC NameN-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(C(=O)CSC(C)(C)C)CC1
InChIInChI=1S/C16H25N3O2S2/c1-11-14(22-10-17-11)15(21)18-12-5-7-19(8-6-12)13(20)9-23-16(2,3)4/h10,12H,5-9H2,1-4H3,(H,18,21)
InChIKeyMYRNYZHFWHNILJ-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 60607390) is N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(C(=O)CSC(C)(C)C)CC1.
What is the InChIKey of N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MYRNYZHFWHNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S2/c1-11-14(22-10-17-11)15(21)18-12-5-7-19(8-6-12)13(20)9-23-16(2,3)4/h10,12H,5-9H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60607390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).