N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

C17H19N7OS — CID 72937318

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NC(c1ccccc1)c1nnc(N)s1
InChIInChI=1S/C17H19N7OS/c1-10-12(9-19-17(20-10)24(2)3)14(25)21-13(11-7-5-4-6-8-11)15-22-23-16(18)26-15/h4-9,13H,1-3H3,(H2,18,23)(H,21,25)
InChIKeyPWDSRIJONCWIEN-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.80
Rot. Bonds5

About N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (PubChem CID 72937318) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
PubChem CID72937318
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NC(c1ccccc1)c1nnc(N)s1
InChIInChI=1S/C17H19N7OS/c1-10-12(9-19-17(20-10)24(2)3)14(25)21-13(11-7-5-4-6-8-11)15-22-23-16(18)26-15/h4-9,13H,1-3H3,(H2,18,23)(H,21,25)
InChIKeyPWDSRIJONCWIEN-UHFFFAOYSA-N
XLogP1.80
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (CID 72937318) is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)NC(c1ccccc1)c1nnc(N)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The InChIKey is PWDSRIJONCWIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-10-12(9-19-17(20-10)24(2)3)14(25)21-13(11-7-5-4-6-8-11)15-22-23-16(18)26-15/h4-9,13H,1-3H3,(H2,18,23)(H,21,25).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 72937318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).