(1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea

C14H17N3S2 — CID 6341421

IUPAC(1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea
SMILESCCCn1c(C)cs/c1=N\C(=S)Nc1ccccc1
InChIInChI=1S/C14H17N3S2/c1-3-9-17-11(2)10-19-14(17)16-13(18)15-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,18)/b16-14-
InChIKeyPJTFGPOOLJITBC-PEZBUJJGSA-N
MW291.44 g/mol
LogP3.57
Rot. Bonds3

About (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea

(1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea (PubChem CID 6341421) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea.

Molecular Properties

Compound Name(1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea
PubChem CID6341421
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC Name(1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea
SMILESCCCn1c(C)cs/c1=N\C(=S)Nc1ccccc1
InChIInChI=1S/C14H17N3S2/c1-3-9-17-11(2)10-19-14(17)16-13(18)15-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,18)/b16-14-
InChIKeyPJTFGPOOLJITBC-PEZBUJJGSA-N
XLogP3.57
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea?
The IUPAC name of (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea (CID 6341421) is (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea.
What is the SMILES notation for (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea?
The canonical SMILES for (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea is CCCn1c(C)cs/c1=N\C(=S)Nc1ccccc1.
What is the InChIKey of (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea?
The InChIKey is PJTFGPOOLJITBC-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-3-9-17-11(2)10-19-14(17)16-13(18)15-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,18)/b16-14-.
What are the key properties of (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea?
(1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea has a molecular weight of 291.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-methyl-3-propyl-1,3-thiazol-2-ylidene)-3-phenylthiourea is sourced from PubChem (CID 6341421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).