trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide

C16H20N4O2S2 — CID 52526965

IUPACtrans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
SMILESCc1csc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)n1
InChIInChI=1S/C16H20N4O2S2/c1-9-7-23-15(17-9)19-13(21)11-4-3-5-12(6-11)14(22)20-16-18-10(2)8-24-16/h7-8,11-12H,3-6H2,1-2H3,(H,17,19,21)(H,18,20,22)/t11-,12-/m0/s1
InChIKeyQAHJUWYCGXXWJB-RYUDHWBXSA-N
MW364.50 g/mol
LogP3.60
Rot. Bonds4

About trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide

trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide (PubChem CID 52526965) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
PubChem CID52526965
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Nametrans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
SMILESCc1csc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)n1
InChIInChI=1S/C16H20N4O2S2/c1-9-7-23-15(17-9)19-13(21)11-4-3-5-12(6-11)14(22)20-16-18-10(2)8-24-16/h7-8,11-12H,3-6H2,1-2H3,(H,17,19,21)(H,18,20,22)/t11-,12-/m0/s1
InChIKeyQAHJUWYCGXXWJB-RYUDHWBXSA-N
XLogP3.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 98277438
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tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide?
The IUPAC name of trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide (CID 52526965) is trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide?
The canonical SMILES for trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide is Cc1csc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)n1.
What is the InChIKey of trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide?
The InChIKey is QAHJUWYCGXXWJB-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-9-7-23-15(17-9)19-13(21)11-4-3-5-12(6-11)14(22)20-16-18-10(2)8-24-16/h7-8,11-12H,3-6H2,1-2H3,(H,17,19,21)(H,18,20,22)/t11-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide?
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide has a molecular weight of 364.50 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 52526965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).