2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole

C15H22ClN5O2S — CID 14014173

IUPAC2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole
SMILESCCC(C)(C)N1CC([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN2C1
InChIInChI=1S/C15H22ClN5O2S/c1-4-15(2,3)20-9-12(21(22)23)13-18(5-6-19(13)10-20)8-11-7-17-14(16)24-11/h7H,4-6,8-10H2,1-3H3
InChIKeyWSRSRUYJUAIMCA-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.82
Rot. Bonds5

About 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole

2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole (PubChem CID 14014173) has the molecular formula C15H22ClN5O2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole
PubChem CID14014173
Molecular FormulaC15H22ClN5O2S
Molecular Weight371.89 g/mol
Exact Mass371.12
IUPAC Name2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole
SMILESCCC(C)(C)N1CC([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN2C1
InChIInChI=1S/C15H22ClN5O2S/c1-4-15(2,3)20-9-12(21(22)23)13-18(5-6-19(13)10-20)8-11-7-17-14(16)24-11/h7H,4-6,8-10H2,1-3H3
InChIKeyWSRSRUYJUAIMCA-UHFFFAOYSA-N
XLogP2.82
TPSA65.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole (CID 14014173) is 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole is CCC(C)(C)N1CC([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN2C1.
What is the InChIKey of 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WSRSRUYJUAIMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O2S/c1-4-15(2,3)20-9-12(21(22)23)13-18(5-6-19(13)10-20)8-11-7-17-14(16)24-11/h7H,4-6,8-10H2,1-3H3.
What are the key properties of 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 371.89 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 14014173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).