2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide

C9H9Cl2N3O2S — CID 96501826

IUPAC2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESC[C@@]1(C(=O)Nc2nc(C(N)=O)cs2)CC1(Cl)Cl
InChIInChI=1S/C9H9Cl2N3O2S/c1-8(3-9(8,10)11)6(16)14-7-13-4(2-17-7)5(12)15/h2H,3H2,1H3,(H2,12,15)(H,13,14,16)/t8-/m0/s1
InChIKeyZWDIMAMCVXGZDD-QMMMGPOBSA-N
MW294.16 g/mol
LogP1.76
Rot. Bonds3

About 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide

2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 96501826) has the molecular formula C9H9Cl2N3O2S and a molecular weight of 294.16 g/mol. Its IUPAC name is 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID96501826
Molecular FormulaC9H9Cl2N3O2S
Molecular Weight294.16 g/mol
Exact Mass292.98
IUPAC Name2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESC[C@@]1(C(=O)Nc2nc(C(N)=O)cs2)CC1(Cl)Cl
InChIInChI=1S/C9H9Cl2N3O2S/c1-8(3-9(8,10)11)6(16)14-7-13-4(2-17-7)5(12)15/h2H,3H2,1H3,(H2,12,15)(H,13,14,16)/t8-/m0/s1
InChIKeyZWDIMAMCVXGZDD-QMMMGPOBSA-N
XLogP1.76
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide
CID 30094719
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide
CID 64557119
2-[(6-methylpyridine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 110472181
2,2-dichloro-1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 51298157
2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 16915451
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634432
2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16949036
ethyl 2-[2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 4098348
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
2-(pentylamino)-1,3-thiazole-4-carboxamide
CID 69456979

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide (CID 96501826) is 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide is C[C@@]1(C(=O)Nc2nc(C(N)=O)cs2)CC1(Cl)Cl.
What is the InChIKey of 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is ZWDIMAMCVXGZDD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2S/c1-8(3-9(8,10)11)6(16)14-7-13-4(2-17-7)5(12)15/h2H,3H2,1H3,(H2,12,15)(H,13,14,16)/t8-/m0/s1.
What are the key properties of 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide?
2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 294.16 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 96501826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).