[[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid

C8H14N4O3S — CID 175234328

IUPAC[[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid
SMILESO=C(O)NNc1nc(CCNCCO)cs1
InChIInChI=1S/C8H14N4O3S/c13-4-3-9-2-1-6-5-16-7(10-6)11-12-8(14)15/h5,9,12-13H,1-4H2,(H,10,11)(H,14,15)
InChIKeyFHMAXNIIUNSIEL-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.14
Rot. Bonds7

About [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid

[[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid (PubChem CID 175234328) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid.

Molecular Properties

Compound Name[[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid
PubChem CID175234328
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name[[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid
SMILESO=C(O)NNc1nc(CCNCCO)cs1
InChIInChI=1S/C8H14N4O3S/c13-4-3-9-2-1-6-5-16-7(10-6)11-12-8(14)15/h5,9,12-13H,1-4H2,(H,10,11)(H,14,15)
InChIKeyFHMAXNIIUNSIEL-UHFFFAOYSA-N
XLogP-0.14
TPSA106.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate
CID 174499606
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 106035988
3-chloro-N-[4-[3-(2-hydroxyethylamino)propyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546948
4-hydroxy-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106038221
3-[2-[2-[di(propan-2-yl)amino]ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103485907
3-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
CID 106036222
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385

Frequently Asked Questions

What is the IUPAC name of [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid?
The IUPAC name of [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid (CID 175234328) is [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid.
What is the SMILES notation for [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid?
The canonical SMILES for [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid is O=C(O)NNc1nc(CCNCCO)cs1.
What is the InChIKey of [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid?
The InChIKey is FHMAXNIIUNSIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c13-4-3-9-2-1-6-5-16-7(10-6)11-12-8(14)15/h5,9,12-13H,1-4H2,(H,10,11)(H,14,15).
What are the key properties of [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid?
[[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid has a molecular weight of 246.29 g/mol, XLogP of -0.14, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid is sourced from PubChem (CID 175234328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).