N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide

C11H14N2OS — CID 166406954

IUPACN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C11H14N2OS/c1-4-8(14)12-10-13-9-7(15-10)5-6-11(9,2)3/h4H,1,5-6H2,2-3H3,(H,12,13,14)
InChIKeyIPGMABNNXCUCKF-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.49
Rot. Bonds2

About N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide (PubChem CID 166406954) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide
PubChem CID166406954
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C11H14N2OS/c1-4-8(14)12-10-13-9-7(15-10)5-6-11(9,2)3/h4H,1,5-6H2,2-3H3,(H,12,13,14)
InChIKeyIPGMABNNXCUCKF-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole-2-carbaldehyde
CID 79863157
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide
CID 146147751
1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)urea
CID 128859210
1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 164634001
3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 128858664
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
CID 128859088
N-(4-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 166419363
1-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093933
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 128858849
(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide
CID 128859243
ethyl 2-(prop-2-enoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 166419365
N-(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)propanamide
CID 166214876

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide (CID 166406954) is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide is C=CC(=O)Nc1nc2c(s1)CCC2(C)C.
What is the InChIKey of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide?
The InChIKey is IPGMABNNXCUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-8(14)12-10-13-9-7(15-10)5-6-11(9,2)3/h4H,1,5-6H2,2-3H3,(H,12,13,14).
What are the key properties of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide?
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide has a molecular weight of 222.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 166406954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).