N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine

C9H12N4S — CID 115579999

IUPACN-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
SMILESc1cnn(CCCNc2nccs2)c1
InChIInChI=1S/C9H12N4S/c1(6-13-7-2-4-12-13)3-10-9-11-5-8-14-9/h2,4-5,7-8H,1,3,6H2,(H,10,11)
InChIKeyDVUDQGJHSYJFJU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.84
Rot. Bonds5

About N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine

N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine (PubChem CID 115579999) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
PubChem CID115579999
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
SMILESc1cnn(CCCNc2nccs2)c1
InChIInChI=1S/C9H12N4S/c1(6-13-7-2-4-12-13)3-10-9-11-5-8-14-9/h2,4-5,7-8H,1,3,6H2,(H,10,11)
InChIKeyDVUDQGJHSYJFJU-UHFFFAOYSA-N
XLogP1.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115681727
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
CID 170098031
methyl 3-[2-(3-pyrazol-1-ylpropylamino)-1,3-thiazol-4-yl]propanoate
CID 107040608
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821
6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine
CID 113412388
N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 130563769
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
CID 59694819
CID 59694819
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine (CID 115579999) is N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine is c1cnn(CCCNc2nccs2)c1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine?
The InChIKey is DVUDQGJHSYJFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1(6-13-7-2-4-12-13)3-10-9-11-5-8-14-9/h2,4-5,7-8H,1,3,6H2,(H,10,11).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine?
N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115579999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).