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

C18H21N7OS — CID 134068029

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
SMILESCn1cccc1C1CC(C(=O)NC(c2ccccc2)c2nnc(N)s2)NN1
InChIInChI=1S/C18H21N7OS/c1-25-9-5-8-14(25)12-10-13(22-21-12)16(26)20-15(11-6-3-2-4-7-11)17-23-24-18(19)27-17/h2-9,12-13,15,21-22H,10H2,1H3,(H2,19,24)(H,20,26)
InChIKeyLESVQFCOBOUTSV-UHFFFAOYSA-N
MW383.48 g/mol
LogP1.27
Rot. Bonds5

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

N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide (PubChem CID 134068029) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
PubChem CID134068029
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
SMILESCn1cccc1C1CC(C(=O)NC(c2ccccc2)c2nnc(N)s2)NN1
InChIInChI=1S/C18H21N7OS/c1-25-9-5-8-14(25)12-10-13(22-21-12)16(26)20-15(11-6-3-2-4-7-11)17-23-24-18(19)27-17/h2-9,12-13,15,21-22H,10H2,1H3,(H2,19,24)(H,20,26)
InChIKeyLESVQFCOBOUTSV-UHFFFAOYSA-N
XLogP1.27
TPSA109.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide (CID 134068029) is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide is Cn1cccc1C1CC(C(=O)NC(c2ccccc2)c2nnc(N)s2)NN1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide?
The InChIKey is LESVQFCOBOUTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-25-9-5-8-14(25)12-10-13(22-21-12)16(26)20-15(11-6-3-2-4-7-11)17-23-24-18(19)27-17/h2-9,12-13,15,21-22H,10H2,1H3,(H2,19,24)(H,20,26).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 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]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134068029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).