N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

C14H15N5OS — CID 167753097

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2c[nH]c3ncncc23)s1
InChIInChI=1S/C14H15N5OS/c1-3-9-4-17-14(21-9)8(2)19-13(20)11-6-16-12-10(11)5-15-7-18-12/h4-8H,3H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyVWDGQKICWHKDKH-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 167753097) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID167753097
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1cnc(C(C)NC(=O)c2c[nH]c3ncncc23)s1
InChIInChI=1S/C14H15N5OS/c1-3-9-4-17-14(21-9)8(2)19-13(20)11-6-16-12-10(11)5-15-7-18-12/h4-8H,3H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyVWDGQKICWHKDKH-UHFFFAOYSA-N
XLogP2.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 167753097) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is CCc1cnc(C(C)NC(=O)c2c[nH]c3ncncc23)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VWDGQKICWHKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-9-4-17-14(21-9)8(2)19-13(20)11-6-16-12-10(11)5-15-7-18-12/h4-8H,3H2,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 167753097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).