(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C10H10Cl2N2OS — CID 33302453

IUPAC(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C10H10Cl2N2OS/c11-10(12)3-6(10)8(15)14-9-13-7(4-16-9)5-1-2-5/h4-6H,1-3H2,(H,13,14,15)/t6-/m0/s1
InChIKeyUQUUQBIDOCIAAU-LURJTMIESA-N
MW277.18 g/mol
LogP3.15
Rot. Bonds3

About (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 33302453) has the molecular formula C10H10Cl2N2OS and a molecular weight of 277.18 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID33302453
Molecular FormulaC10H10Cl2N2OS
Molecular Weight277.18 g/mol
Exact Mass275.99
IUPAC Name(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C10H10Cl2N2OS/c11-10(12)3-6(10)8(15)14-9-13-7(4-16-9)5-1-2-5/h4-6H,1-3H2,(H,13,14,15)/t6-/m0/s1
InChIKeyUQUUQBIDOCIAAU-LURJTMIESA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 94211482
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61482512
1-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 54959029
cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 32868715
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617667
1-(adamantane-1-carbonyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 134005557
4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992179
3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 32869142

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 33302453) is (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nc(C2CC2)cs1)[C@@H]1CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UQUUQBIDOCIAAU-LURJTMIESA-N. The full InChI is InChI=1S/C10H10Cl2N2OS/c11-10(12)3-6(10)8(15)14-9-13-7(4-16-9)5-1-2-5/h4-6H,1-3H2,(H,13,14,15)/t6-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 277.18 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 33302453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).