1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea

C10H11N5S3 — CID 4056566

IUPAC1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1nc(-c2csc(N)n2)cs1
InChIInChI=1S/C10H11N5S3/c1-2-3-12-9(16)15-10-14-7(5-18-10)6-4-17-8(11)13-6/h2,4-5H,1,3H2,(H2,11,13)(H2,12,14,15,16)
InChIKeyIYCIISGXTVYZIP-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.32
Rot. Bonds4

About 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea

1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea (PubChem CID 4056566) has the molecular formula C10H11N5S3 and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea
PubChem CID4056566
Molecular FormulaC10H11N5S3
Molecular Weight297.43 g/mol
Exact Mass297.02
IUPAC Name1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1nc(-c2csc(N)n2)cs1
InChIInChI=1S/C10H11N5S3/c1-2-3-12-9(16)15-10-14-7(5-18-10)6-4-17-8(11)13-6/h2,4-5H,1,3H2,(H2,11,13)(H2,12,14,15,16)
InChIKeyIYCIISGXTVYZIP-UHFFFAOYSA-N
XLogP2.32
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenyl-1,3-thiazol-2-yl)-3-prop-2-enylthiourea
CID 4763317
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea
CID 5196237
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-prop-2-enylthiourea
CID 108784177
1-(4,6-dimethylpyrimidin-2-yl)-3-prop-2-enylthiourea
CID 4997236
1-prop-2-enyl-3-[4-[4-(prop-2-enylcarbamothioylamino)phenoxy]phenyl]thiourea
CID 8620453
1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea
CID 108784318
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
1-prop-2-enyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)thiourea
CID 175023475
1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea
CID 108780363
N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 43981157
N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
1-[4-(4-bromophenoxy)phenyl]-3-prop-2-enylthiourea
CID 8679715

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea (CID 4056566) is 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea is C=CCNC(=S)Nc1nc(-c2csc(N)n2)cs1.
What is the InChIKey of 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea?
The InChIKey is IYCIISGXTVYZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S3/c1-2-3-12-9(16)15-10-14-7(5-18-10)6-4-17-8(11)13-6/h2,4-5H,1,3H2,(H2,11,13)(H2,12,14,15,16).
What are the key properties of 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea?
1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea has a molecular weight of 297.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-prop-2-enylthiourea is sourced from PubChem (CID 4056566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).