4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide

C19H20N6O3S — CID 118357079

IUPAC4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCOC1)c1nc(-c2cn3cc(NC(=O)C4CC4)nc3cn2)cs1
InChIInChI=1S/C19H20N6O3S/c26-17(11-3-4-11)24-15-8-25-7-13(20-6-16(25)23-15)14-10-29-19(22-14)18(27)21-12-2-1-5-28-9-12/h6-8,10-12H,1-5,9H2,(H,21,27)(H,24,26)
InChIKeyXGRBPFAVLWXIFA-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.11
Rot. Bonds5

About 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide

4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 118357079) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID118357079
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCOC1)c1nc(-c2cn3cc(NC(=O)C4CC4)nc3cn2)cs1
InChIInChI=1S/C19H20N6O3S/c26-17(11-3-4-11)24-15-8-25-7-13(20-6-16(25)23-15)14-10-29-19(22-14)18(27)21-12-2-1-5-28-9-12/h6-8,10-12H,1-5,9H2,(H,21,27)(H,24,26)
InChIKeyXGRBPFAVLWXIFA-UHFFFAOYSA-N
XLogP2.11
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-[(3S)-oxolan-3-yl]-1,3-thiazole-2-carboxamide
CID 118363450
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide
CID 126700888
4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 118357062
N-[6-[5-chloro-6-fluoro-7-[hydroxy(oxan-3-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717871
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide
CID 169196068
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 83407453
N-[6-(6-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155082189
5-(methylamino)-N-(oxan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63362164
3-[4-(oxan-3-ylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79691753
3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
CID 64525648
5-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-yl)-1,2-oxazole-3-carboxamide
CID 46981813

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide (CID 118357079) is 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide is O=C(NC1CCCOC1)c1nc(-c2cn3cc(NC(=O)C4CC4)nc3cn2)cs1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is XGRBPFAVLWXIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c26-17(11-3-4-11)24-15-8-25-7-13(20-6-16(25)23-15)14-10-29-19(22-14)18(27)21-12-2-1-5-28-9-12/h6-8,10-12H,1-5,9H2,(H,21,27)(H,24,26).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide?
4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118357079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).