methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate

C9H10ClN5O2S2 — CID 133426606

IUPACmethyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Sc2nnnn2C(C)C)nc1Cl
InChIInChI=1S/C9H10ClN5O2S2/c1-4(2)15-8(12-13-14-15)19-9-11-6(10)5(18-9)7(16)17-3/h4H,1-3H3
InChIKeyUZZPMWIMLDEZKA-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.30
Rot. Bonds4

About methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate (PubChem CID 133426606) has the molecular formula C9H10ClN5O2S2 and a molecular weight of 319.80 g/mol. Its IUPAC name is methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate
PubChem CID133426606
Molecular FormulaC9H10ClN5O2S2
Molecular Weight319.80 g/mol
Exact Mass319.00
IUPAC Namemethyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Sc2nnnn2C(C)C)nc1Cl
InChIInChI=1S/C9H10ClN5O2S2/c1-4(2)15-8(12-13-14-15)19-9-11-6(10)5(18-9)7(16)17-3/h4H,1-3H3
InChIKeyUZZPMWIMLDEZKA-UHFFFAOYSA-N
XLogP2.30
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 4-chloro-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 133426526
methyl 4-chloro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylate
CID 115383148
methyl 2-(4-acetamidophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 60844924
methyl 4-chloro-2-(3,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carboxylate
CID 60844923
methyl 4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 55070538
methyl 4-chloro-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylate
CID 133427296
methyl 4-chloro-2-(1H-imidazol-2-ylsulfanyl)-1,3-thiazole-5-carboxylate
CID 103894594
methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate
CID 60844575
methyl 4-chloro-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylate
CID 133426789
4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708380
methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 62803555
methyl 4-chloro-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 60844910

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate (CID 133426606) is methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Sc2nnnn2C(C)C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate?
The InChIKey is UZZPMWIMLDEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2S2/c1-4(2)15-8(12-13-14-15)19-9-11-6(10)5(18-9)7(16)17-3/h4H,1-3H3.
What are the key properties of methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate has a molecular weight of 319.80 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133426606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).