N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide

C16H26N4OS — CID 136570316

IUPACN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)N2CCCC23CCNC3)s1
InChIInChI=1S/C16H26N4OS/c1-11(2)9-13-14(22-12(3)18-13)19-15(21)20-8-4-5-16(20)6-7-17-10-16/h11,17H,4-10H2,1-3H3,(H,19,21)
InChIKeyOMAHLGZVIWCEFS-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.01
Rot. Bonds3

About N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide

N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide (PubChem CID 136570316) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide
PubChem CID136570316
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)N2CCCC23CCNC3)s1
InChIInChI=1S/C16H26N4OS/c1-11(2)9-13-14(22-12(3)18-13)19-15(21)20-8-4-5-16(20)6-7-17-10-16/h11,17H,4-10H2,1-3H3,(H,19,21)
InChIKeyOMAHLGZVIWCEFS-UHFFFAOYSA-N
XLogP3.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide?
The IUPAC name of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide (CID 136570316) is N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide?
The canonical SMILES for N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide is Cc1nc(CC(C)C)c(NC(=O)N2CCCC23CCNC3)s1.
What is the InChIKey of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide?
The InChIKey is OMAHLGZVIWCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-11(2)9-13-14(22-12(3)18-13)19-15(21)20-8-4-5-16(20)6-7-17-10-16/h11,17H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide?
N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,7-diazaspiro[4.4]nonane-1-carboxamide is sourced from PubChem (CID 136570316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).