(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea

C14H14ClN3S2 — CID 42913202

IUPAC(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea
SMILESS=C(/N=c1\sccn1Cc1ccccc1Cl)NC1CC1
InChIInChI=1S/C14H14ClN3S2/c15-12-4-2-1-3-10(12)9-18-7-8-20-14(18)17-13(19)16-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H,16,19)/b17-14-
InChIKeyAMVFCRTWEAXISG-VKAVYKQESA-N
MW323.87 g/mol
LogP3.19
Rot. Bonds3

About (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea

(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea (PubChem CID 42913202) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea.

Molecular Properties

Compound Name(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea
PubChem CID42913202
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC Name(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea
SMILESS=C(/N=c1\sccn1Cc1ccccc1Cl)NC1CC1
InChIInChI=1S/C14H14ClN3S2/c15-12-4-2-1-3-10(12)9-18-7-8-20-14(18)17-13(19)16-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H,16,19)/b17-14-
InChIKeyAMVFCRTWEAXISG-VKAVYKQESA-N
XLogP3.19
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 46411211
methyl 4-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate
CID 9054250
(2S,5R)-5-(aminomethyl)-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]oxolane-2-carboxamide
CID 120796692
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2497795
5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
CID 51067409
3-[(2-chlorophenyl)methyl]-1,3-thiazole-2-thione
CID 117062780
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 60599665
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide
CID 55718292
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46686705
1-(3-benzyl-1,3-thiazol-2-ylidene)-3-propan-2-ylthiourea
CID 9098389
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 16525232
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2686917

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea?
The IUPAC name of (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea (CID 42913202) is (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea.
What is the SMILES notation for (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea?
The canonical SMILES for (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea is S=C(/N=c1\sccn1Cc1ccccc1Cl)NC1CC1.
What is the InChIKey of (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea?
The InChIKey is AMVFCRTWEAXISG-VKAVYKQESA-N. The full InChI is InChI=1S/C14H14ClN3S2/c15-12-4-2-1-3-10(12)9-18-7-8-20-14(18)17-13(19)16-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H,16,19)/b17-14-.
What are the key properties of (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea?
(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea has a molecular weight of 323.87 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea is sourced from PubChem (CID 42913202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).