[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea

C6H10N4OS — CID 64557109

IUPAC[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
SMILESCC(N)c1csc(NC(N)=O)n1
InChIInChI=1S/C6H10N4OS/c1-3(7)4-2-12-6(9-4)10-5(8)11/h2-3H,7H2,1H3,(H3,8,9,10,11)
InChIKeyHVLYTCNLSCEXCS-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.65
Rot. Bonds2

About [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea

[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea (PubChem CID 64557109) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
PubChem CID64557109
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
SMILESCC(N)c1csc(NC(N)=O)n1
InChIInChI=1S/C6H10N4OS/c1-3(7)4-2-12-6(9-4)10-5(8)11/h2-3H,7H2,1H3,(H3,8,9,10,11)
InChIKeyHVLYTCNLSCEXCS-UHFFFAOYSA-N
XLogP0.65
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide
CID 64556265
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151582
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64556459
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-tert-butylcyclohexane-1-carboxamide
CID 64556065

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea (CID 64557109) is [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea is CC(N)c1csc(NC(N)=O)n1.
What is the InChIKey of [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is HVLYTCNLSCEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3(7)4-2-12-6(9-4)10-5(8)11/h2-3H,7H2,1H3,(H3,8,9,10,11).
What are the key properties of [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea?
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 186.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 64557109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).