4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

C18H26N4OS3 — CID 139951763

IUPAC4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCC(N)CC3)s2)s1
InChIInChI=1S/C18H26N4OS3/c1-18(2,3)13-8-20-14(25-13)10-24-15-9-21-17(26-15)22-16(23)11-4-6-12(19)7-5-11/h8-9,11-12H,4-7,10,19H2,1-3H3,(H,21,22,23)
InChIKeyXBTPQFMABYSNCY-UHFFFAOYSA-N
MW410.63 g/mol
LogP4.65
Rot. Bonds5

About 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 139951763) has the molecular formula C18H26N4OS3 and a molecular weight of 410.63 g/mol. Its IUPAC name is 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
PubChem CID139951763
Molecular FormulaC18H26N4OS3
Molecular Weight410.63 g/mol
Exact Mass410.13
IUPAC Name4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCC(N)CC3)s2)s1
InChIInChI=1S/C18H26N4OS3/c1-18(2,3)13-8-20-14(25-13)10-24-15-9-21-17(26-15)22-16(23)11-4-6-12(19)7-5-11/h8-9,11-12H,4-7,10,19H2,1-3H3,(H,21,22,23)
InChIKeyXBTPQFMABYSNCY-UHFFFAOYSA-N
XLogP4.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 139951763) is 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCC(N)CC3)s2)s1.
What is the InChIKey of 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is XBTPQFMABYSNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS3/c1-18(2,3)13-8-20-14(25-13)10-24-15-9-21-17(26-15)22-16(23)11-4-6-12(19)7-5-11/h8-9,11-12H,4-7,10,19H2,1-3H3,(H,21,22,23).
What are the key properties of 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 410.63 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 139951763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).