1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea

C9H16N4S2 — CID 108780363

IUPAC1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea
SMILESCCNC(=S)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C9H16N4S2/c1-4-10-8(14)12-9-11-7(6-15-9)5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyDQWGZSUEUJXNAI-UHFFFAOYSA-N
MW244.39 g/mol
LogP1.51
Rot. Bonds4

About 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea

1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea (PubChem CID 108780363) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea
PubChem CID108780363
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC Name1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea
SMILESCCNC(=S)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C9H16N4S2/c1-4-10-8(14)12-9-11-7(6-15-9)5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyDQWGZSUEUJXNAI-UHFFFAOYSA-N
XLogP1.51
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate
CID 108726651
1-[(3,4-dichlorophenyl)methyl]-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 25051873
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 108726497
2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726565
(E)-3-(4-chlorophenyl)-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108750683
1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
CID 122628208
N-[5-bromo-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]acetamide;N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide;N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]acetamide;N-methylmethanamine;molecular bromine
CID 159317276
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide
CID 108750661
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108726536
1-(1-hydroxypropan-2-yl)-1-methyl-3-(4-propyl-1,3-thiazol-2-yl)urea
CID 110011158
N-[(2-hydrazinyl-1,3-thiazol-4-yl)methyl]-N-methylethanamine
CID 130552869

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea (CID 108780363) is 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea is CCNC(=S)Nc1nc(CN(C)C)cs1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea?
The InChIKey is DQWGZSUEUJXNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-4-10-8(14)12-9-11-7(6-15-9)5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14).
What are the key properties of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea?
1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea has a molecular weight of 244.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea is sourced from PubChem (CID 108780363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).