(NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine

C6H10N4OS — CID 166829588

IUPAC(NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine
SMILESCC(N)/C(=N\O)c1csc(N)n1
InChIInChI=1S/C6H10N4OS/c1-3(7)5(10-11)4-2-12-6(8)9-4/h2-3,11H,7H2,1H3,(H2,8,9)/b10-5+
InChIKeyRXQRNXCXJBSEDX-BJMVGYQFSA-N
MW186.24 g/mol
LogP0.25
Rot. Bonds2

About (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine

(NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine (PubChem CID 166829588) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine
PubChem CID166829588
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name(NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine
SMILESCC(N)/C(=N\O)c1csc(N)n1
InChIInChI=1S/C6H10N4OS/c1-3(7)5(10-11)4-2-12-6(8)9-4/h2-3,11H,7H2,1H3,(H2,8,9)/b10-5+
InChIKeyRXQRNXCXJBSEDX-BJMVGYQFSA-N
XLogP0.25
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 10964631
4-(3-Aminopropyl)-1,3-Thiazol-2-Amine Dihydrochloride
CID 47000672
4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine
CID 130915076
2-Guanidino-4-(4-aminobutyl)thiazole
CID 20518172
(NZ)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine
CID 20622349
4-(3-Aminopropyl)-1,3-thiazol-2-amine
CID 28063579
2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioamide
CID 54356772
2-[4-(3-Amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine
CID 57174410
(NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine
CID 59146711
4-[2-(Methylamino)ethyl]-1,3-thiazol-2-amine
CID 65485043
4-(3-Aminopropyl)-1,3-thiazol-2-amine hydrochloride
CID 87455482
2-[4-(2-Amino-1-sulfanylpropyl)-1,3-thiazol-2-yl]guanidine
CID 88691645

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine (CID 166829588) is (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine is CC(N)/C(=N\O)c1csc(N)n1.
What is the InChIKey of (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine?
The InChIKey is RXQRNXCXJBSEDX-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3(7)5(10-11)4-2-12-6(8)9-4/h2-3,11H,7H2,1H3,(H2,8,9)/b10-5+.
What are the key properties of (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine?
(NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine has a molecular weight of 186.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine is sourced from PubChem (CID 166829588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).