[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C11H17N3OS — CID 110386308

IUPAC[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCNc1nc(C)c(C(=O)N2CCCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-8-9(16-11(12-2)13-8)10(15)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H,12,13)
InChIKeyMFVHULVQWXNURW-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.12
Rot. Bonds2

About [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 110386308) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID110386308
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCNc1nc(C)c(C(=O)N2CCCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-8-9(16-11(12-2)13-8)10(15)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H,12,13)
InChIKeyMFVHULVQWXNURW-UHFFFAOYSA-N
XLogP2.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70770639
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 30142399
[2-(azepan-1-ylmethyl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 46969369
N-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945066
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72844234
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97150010
1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897556
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110676615
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70762769
[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 95556437

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 110386308) is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is CNc1nc(C)c(C(=O)N2CCCCC2)s1.
What is the InChIKey of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is MFVHULVQWXNURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-9(16-11(12-2)13-8)10(15)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H,12,13).
What are the key properties of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 239.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110386308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).