N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide

C24H27N5O2S2 — CID 54757523

IUPACN-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccsc2c(=O)n1Cc1cscn1)N(CCCN)C(=O)c1ccc(C)cc1
InChIInChI=1S/C24H27N5O2S2/c1-3-20(28(11-4-10-25)23(30)17-7-5-16(2)6-8-17)22-27-19-9-12-33-21(19)24(31)29(22)13-18-14-32-15-26-18/h5-9,12,14-15,20H,3-4,10-11,13,25H2,1-2H3
InChIKeyNFSUCTUBXVJXNX-UHFFFAOYSA-N
MW481.65 g/mol
LogP4.21
Rot. Bonds9

About N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide

N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide (PubChem CID 54757523) has the molecular formula C24H27N5O2S2 and a molecular weight of 481.65 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
PubChem CID54757523
Molecular FormulaC24H27N5O2S2
Molecular Weight481.65 g/mol
Exact Mass481.16
IUPAC NameN-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccsc2c(=O)n1Cc1cscn1)N(CCCN)C(=O)c1ccc(C)cc1
InChIInChI=1S/C24H27N5O2S2/c1-3-20(28(11-4-10-25)23(30)17-7-5-16(2)6-8-17)22-27-19-9-12-33-21(19)24(31)29(22)13-18-14-32-15-26-18/h5-9,12,14-15,20H,3-4,10-11,13,25H2,1-2H3
InChIKeyNFSUCTUBXVJXNX-UHFFFAOYSA-N
XLogP4.21
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide (CID 54757523) is N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide is CCC(c1nc2ccsc2c(=O)n1Cc1cscn1)N(CCCN)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide?
The InChIKey is NFSUCTUBXVJXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S2/c1-3-20(28(11-4-10-25)23(30)17-7-5-16(2)6-8-17)22-27-19-9-12-33-21(19)24(31)29(22)13-18-14-32-15-26-18/h5-9,12,14-15,20H,3-4,10-11,13,25H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide?
N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide has a molecular weight of 481.65 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(1,3-thiazol-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide is sourced from PubChem (CID 54757523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).