cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C16H22N2OS — CID 32868715

IUPACcis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)Nc2nc(C3CC3)cs2)C1(C)C
InChIInChI=1S/C16H22N2OS/c1-9(2)7-11-13(16(11,3)4)14(19)18-15-17-12(8-20-15)10-5-6-10/h7-8,10-11,13H,5-6H2,1-4H3,(H,17,18,19)/t11-,13+/m0/s1
InChIKeyYBKPEQUDAPDWNG-WCQYABFASA-N
MW290.43 g/mol
LogP4.20
Rot. Bonds4

About cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 32868715) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID32868715
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namecis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)Nc2nc(C3CC3)cs2)C1(C)C
InChIInChI=1S/C16H22N2OS/c1-9(2)7-11-13(16(11,3)4)14(19)18-15-17-12(8-20-15)10-5-6-10/h7-8,10-11,13H,5-6H2,1-4H3,(H,17,18,19)/t11-,13+/m0/s1
InChIKeyYBKPEQUDAPDWNG-WCQYABFASA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 18151160
methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate
CID 141162652
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 99810914
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 31349965
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 27146998
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 7263648
trans-(1S,3R)-N-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 929124
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32864950
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 32868715) is cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(C3CC3)cs2)C1(C)C.
What is the InChIKey of cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is YBKPEQUDAPDWNG-WCQYABFASA-N. The full InChI is InChI=1S/C16H22N2OS/c1-9(2)7-11-13(16(11,3)4)14(19)18-15-17-12(8-20-15)10-5-6-10/h7-8,10-11,13H,5-6H2,1-4H3,(H,17,18,19)/t11-,13+/m0/s1.
What are the key properties of cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 32868715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).