2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide

C13H14ClN3S — CID 82433886

IUPAC2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccccc2Cl)nc1C(C)C
InChIInChI=1S/C13H14ClN3S/c1-7(2)10-11(12(15)16)18-13(17-10)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H3,15,16)
InChIKeyWTVCAYMUBVTPCE-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide

2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide (PubChem CID 82433886) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide
PubChem CID82433886
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccccc2Cl)nc1C(C)C
InChIInChI=1S/C13H14ClN3S/c1-7(2)10-11(12(15)16)18-13(17-10)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H3,15,16)
InChIKeyWTVCAYMUBVTPCE-UHFFFAOYSA-N
XLogP3.87
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82433890
(E)-3-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82433893
2-(2-chlorophenyl)-4-propyl-1,3-thiazole-5-carbothioamide
CID 82431582
2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
CID 82432584
2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-amine
CID 96589922
ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
CID 2737429
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl carbamimidothioate
CID 65211721
2-(2-chlorophenyl)pyridine-3-carboximidamide
CID 151921655
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 119745140
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
ethyl 2-(2-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 96536531

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide (CID 82433886) is 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(-c2ccccc2Cl)nc1C(C)C.
What is the InChIKey of 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide?
The InChIKey is WTVCAYMUBVTPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-7(2)10-11(12(15)16)18-13(17-10)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H3,15,16).
What are the key properties of 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide?
2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide has a molecular weight of 279.80 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82433886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).