2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

C16H21N5O2S — CID 127955518

IUPAC2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2NC(=O)c2csc(NC3CC3)n2)cnn1C
InChIInChI=1S/C16H21N5O2S/c1-9-11(7-17-21(9)2)14-12(5-6-23-14)19-15(22)13-8-24-16(20-13)18-10-3-4-10/h7-8,10,12,14H,3-6H2,1-2H3,(H,18,20)(H,19,22)/t12-,14+/m0/s1
InChIKeyDTLHMMJIMYZINW-GXTWGEPZSA-N
MW347.44 g/mol
LogP2.02
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 127955518) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID127955518
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1c([C@H]2OCC[C@@H]2NC(=O)c2csc(NC3CC3)n2)cnn1C
InChIInChI=1S/C16H21N5O2S/c1-9-11(7-17-21(9)2)14-12(5-6-23-14)19-15(22)13-8-24-16(20-13)18-10-3-4-10/h7-8,10,12,14H,3-6H2,1-2H3,(H,18,20)(H,19,22)/t12-,14+/m0/s1
InChIKeyDTLHMMJIMYZINW-GXTWGEPZSA-N
XLogP2.02
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (CID 127955518) is 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is Cc1c([C@H]2OCC[C@@H]2NC(=O)c2csc(NC3CC3)n2)cnn1C.
What is the InChIKey of 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is DTLHMMJIMYZINW-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-9-11(7-17-21(9)2)14-12(5-6-23-14)19-15(22)13-8-24-16(20-13)18-10-3-4-10/h7-8,10,12,14H,3-6H2,1-2H3,(H,18,20)(H,19,22)/t12-,14+/m0/s1.
What are the key properties of 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 127955518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).