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

C15H18N4S2 — CID 95287787

IUPAC(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C15H18N4S2/c1-11-6-17-19(8-11)9-12(2)16-7-13-10-21-15(18-13)14-4-3-5-20-14/h3-6,8,10,12,16H,7,9H2,1-2H3/t12-/m1/s1
InChIKeyWUYFCPIQVQWDED-GFCCVEGCSA-N
MW318.47 g/mol
LogP3.55
Rot. Bonds6

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

(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 95287787) has the molecular formula C15H18N4S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID95287787
Molecular FormulaC15H18N4S2
Molecular Weight318.47 g/mol
Exact Mass318.10
IUPAC Name(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C15H18N4S2/c1-11-6-17-19(8-11)9-12(2)16-7-13-10-21-15(18-13)14-4-3-5-20-14/h3-6,8,10,12,16H,7,9H2,1-2H3/t12-/m1/s1
InChIKeyWUYFCPIQVQWDED-GFCCVEGCSA-N
XLogP3.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine with MolForge

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Related Compounds

(2S)-1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 95317597
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 95276861
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
CID 95311175
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290591
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
(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
2-methylsulfanyl-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111440333

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 95287787) is (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is Cc1cnn(C[C@@H](C)NCc2csc(-c3cccs3)n2)c1.
What is the InChIKey of (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is WUYFCPIQVQWDED-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4S2/c1-11-6-17-19(8-11)9-12(2)16-7-13-10-21-15(18-13)14-4-3-5-20-14/h3-6,8,10,12,16H,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 318.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 95287787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).