N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C14H14N4OS2 — CID 97145683

IUPACN-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1nc2c(s1)CCC[C@H]2NC(=O)c1cn2ccsc2n1
InChIInChI=1S/C14H14N4OS2/c1-8-15-12-9(3-2-4-11(12)21-8)16-13(19)10-7-18-5-6-20-14(18)17-10/h5-7,9H,2-4H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyPRUHXJPAJHRQEK-SECBINFHSA-N
MW318.43 g/mol
LogP2.97
Rot. Bonds2

About N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 97145683) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID97145683
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC NameN-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1nc2c(s1)CCC[C@H]2NC(=O)c1cn2ccsc2n1
InChIInChI=1S/C14H14N4OS2/c1-8-15-12-9(3-2-4-11(12)21-8)16-13(19)10-7-18-5-6-20-14(18)17-10/h5-7,9H,2-4H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyPRUHXJPAJHRQEK-SECBINFHSA-N
XLogP2.97
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 97145683) is N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cn2ccsc2n1.
What is the InChIKey of N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is PRUHXJPAJHRQEK-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-8-15-12-9(3-2-4-11(12)21-8)16-13(19)10-7-18-5-6-20-14(18)17-10/h5-7,9H,2-4H2,1H3,(H,16,19)/t9-/m1/s1.
What are the key properties of N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 97145683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).