1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea

C10H16N2S2 — CID 115570918

IUPAC1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
SMILESCC(C)NC(=S)N(C)Cc1cccs1
InChIInChI=1S/C10H16N2S2/c1-8(2)11-10(13)12(3)7-9-5-4-6-14-9/h4-6,8H,7H2,1-3H3,(H,11,13)
InChIKeyMONNAYHFWXCDRU-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.46
Rot. Bonds3

About 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea

1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 115570918) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
PubChem CID115570918
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
SMILESCC(C)NC(=S)N(C)Cc1cccs1
InChIInChI=1S/C10H16N2S2/c1-8(2)11-10(13)12(3)7-9-5-4-6-14-9/h4-6,8H,7H2,1-3H3,(H,11,13)
InChIKeyMONNAYHFWXCDRU-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115570920
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570921
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 8681181
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
1-[(3-bromophenyl)methyl]-1-methyl-3-propan-2-ylthiourea
CID 115589435
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071
1-methyl-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8681187
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411
4-fluoro-N-[(2R)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 38735611
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea (CID 115570918) is 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea is CC(C)NC(=S)N(C)Cc1cccs1.
What is the InChIKey of 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is MONNAYHFWXCDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-8(2)11-10(13)12(3)7-9-5-4-6-14-9/h4-6,8H,7H2,1-3H3,(H,11,13).
What are the key properties of 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea?
1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 228.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 115570918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).