N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide

C20H21N5O3S2 — CID 71788216

IUPACN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C20H21N5O3S2/c1-24-17(11-16(23-24)13-5-3-2-4-6-13)19(26)22-20-21-15-9-10-25(12-18(15)29-20)30(27,28)14-7-8-14/h2-6,11,14H,7-10,12H2,1H3,(H,21,22,26)
InChIKeyMVARKBLBWNOBEN-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.65
Rot. Bonds5

About N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide

N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 71788216) has the molecular formula C20H21N5O3S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID71788216
Molecular FormulaC20H21N5O3S2
Molecular Weight443.55 g/mol
Exact Mass443.11
IUPAC NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C20H21N5O3S2/c1-24-17(11-16(23-24)13-5-3-2-4-6-13)19(26)22-20-21-15-9-10-25(12-18(15)29-20)30(27,28)14-7-8-14/h2-6,11,14H,7-10,12H2,1H3,(H,21,22,26)
InChIKeyMVARKBLBWNOBEN-UHFFFAOYSA-N
XLogP2.65
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide (CID 71788216) is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is MVARKBLBWNOBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S2/c1-24-17(11-16(23-24)13-5-3-2-4-6-13)19(26)22-20-21-15-9-10-25(12-18(15)29-20)30(27,28)14-7-8-14/h2-6,11,14H,7-10,12H2,1H3,(H,21,22,26).
What are the key properties of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 71788216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).