(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C13H20N4S — CID 95278974

IUPAC(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCCCc1nc(CN[C@H](C)Cn2cccn2)cs1
InChIInChI=1S/C13H20N4S/c1-3-5-13-16-12(10-18-13)8-14-11(2)9-17-7-4-6-15-17/h4,6-7,10-11,14H,3,5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyVJWOALWJOPHKFD-LLVKDONJSA-N
MW264.40 g/mol
LogP2.47
Rot. Bonds7

About (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95278974) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95278974
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCCCc1nc(CN[C@H](C)Cn2cccn2)cs1
InChIInChI=1S/C13H20N4S/c1-3-5-13-16-12(10-18-13)8-14-11(2)9-17-7-4-6-15-17/h4,6-7,10-11,14H,3,5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyVJWOALWJOPHKFD-LLVKDONJSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277787
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 95276861
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
(2R)-1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 95279658
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307
(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95204414
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 130619188
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 95278974) is (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is CCCc1nc(CN[C@H](C)Cn2cccn2)cs1.
What is the InChIKey of (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is VJWOALWJOPHKFD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-5-13-16-12(10-18-13)8-14-11(2)9-17-7-4-6-15-17/h4,6-7,10-11,14H,3,5,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95278974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).