(2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C15H20N6S — CID 95317597

IUPAC(2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2csc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C15H20N6S/c1-11-4-18-21(7-11)8-12(2)16-6-14-10-22-15(19-14)13-5-17-20(3)9-13/h4-5,7,9-10,12,16H,6,8H2,1-3H3/t12-/m0/s1
InChIKeyVVBKKPVXVLXXSX-LBPRGKRZSA-N
MW316.43 g/mol
LogP2.23
Rot. Bonds6

About (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine

(2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 95317597) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID95317597
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name(2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2csc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C15H20N6S/c1-11-4-18-21(7-11)8-12(2)16-6-14-10-22-15(19-14)13-5-17-20(3)9-13/h4-5,7,9-10,12,16H,6,8H2,1-3H3/t12-/m0/s1
InChIKeyVVBKKPVXVLXXSX-LBPRGKRZSA-N
XLogP2.23
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95287787
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
(1R)-1-(2-chlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 97021228
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
2-(1-methylpyrazol-4-yl)-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56780516
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 95295096
4-butan-2-yl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 112697822
(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95287009
(2S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 164630072
(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
CID 95757700
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 95317597) is (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is Cc1cnn(C[C@H](C)NCc2csc(-c3cnn(C)c3)n2)c1.
What is the InChIKey of (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is VVBKKPVXVLXXSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6S/c1-11-4-18-21(7-11)8-12(2)16-6-14-10-22-15(19-14)13-5-17-20(3)9-13/h4-5,7,9-10,12,16H,6,8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
(2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 316.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 95317597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).