1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea

C7H12N4OS — CID 82506108

IUPAC1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(CN)NC(=O)Nc1nccs1
InChIInChI=1S/C7H12N4OS/c1-5(4-8)10-6(12)11-7-9-2-3-13-7/h2-3,5H,4,8H2,1H3,(H2,9,10,11,12)
InChIKeyVRBSDARPOYWMLY-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.61
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea

1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 82506108) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID82506108
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(CN)NC(=O)Nc1nccs1
InChIInChI=1S/C7H12N4OS/c1-5(4-8)10-6(12)11-7-9-2-3-13-7/h2-3,5H,4,8H2,1H3,(H2,9,10,11,12)
InChIKeyVRBSDARPOYWMLY-UHFFFAOYSA-N
XLogP0.61
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82508901
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
CID 20712410
5,5-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)hexanoic acid
CID 113496869
2-(3-amino-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66224258
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
CID 104686066

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea (CID 82506108) is 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea is CC(CN)NC(=O)Nc1nccs1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is VRBSDARPOYWMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-5(4-8)10-6(12)11-7-9-2-3-13-7/h2-3,5H,4,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 200.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 82506108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).