3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile

C10H14N4S — CID 103384602

IUPAC3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCCCC1CC1
InChIInChI=1S/C10H14N4S/c11-6-8-9(12)14-15-10(8)13-5-1-2-7-3-4-7/h7,13H,1-5H2,(H2,12,14)
InChIKeyYQQWSUINFICTLI-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.20
Rot. Bonds5

About 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile

3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 103384602) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile
PubChem CID103384602
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCCCC1CC1
InChIInChI=1S/C10H14N4S/c11-6-8-9(12)14-15-10(8)13-5-1-2-7-3-4-7/h7,13H,1-5H2,(H2,12,14)
InChIKeyYQQWSUINFICTLI-UHFFFAOYSA-N
XLogP2.20
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile (CID 103384602) is 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1NCCCC1CC1.
What is the InChIKey of 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is YQQWSUINFICTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c11-6-8-9(12)14-15-10(8)13-5-1-2-7-3-4-7/h7,13H,1-5H2,(H2,12,14).
What are the key properties of 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile?
3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 222.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103384602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).